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Reports on new protein structures are particularly encouraged, as are structure-function papers that could include crystallographic binding studies, or structural analysis of mutants or other modified forms of a known protein structure. The key criterion is that such papers should present new insights into biology, chemistry or structure." /> <meta name="DC.format" content="text/html" /> <meta name="DC.relation" content="" /> <meta name="DC.type" content="text" /> <meta name="DC.title" content="Acta Crystallographica Section D Biological Crystallography" /> <meta name="description" content="Acta Crystallographica Section D Biological Crystallography"/> <meta name="DCTERMS.abstract" content="Acta Crystallographica Section D: Biological Crystallography welcomes the submission of papers covering any aspect of structural biology, with a particular emphasis on the structures of biological macromolecules and the methods used to determine them. Reports on new protein structures are particularly encouraged, as are structure-function papers that could include crystallographic binding studies, or structural analysis of mutants or other modified forms of a known protein structure. 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The binding pockets are clearly the most mobile, consistent with the idea that they can open and close to complex with cell-wall binding peptides. Courtesy of George Sheldrick.</p> <br/> <hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft" style=""> <span class="issue_prefacelink"><a href="me0101/">Preface</a></span> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="me0101cr" class="addthis_button_compact" href="#" addthis:description="" addthis:title="" addthis:url="http://dx.doi.org/"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#me0101pr').css('display','none')" /> </a> </div> <div id="me0101pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#me0101cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?me0101" title="Statistics"> <img id="me0101_divwide" alt="" class="art_icon downloads" style="top: 0px; 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box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0011/index.html" style="">1065-1070</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S0907444998009366" style="">doi: 10.1107/S0907444998009366</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0011cr" class="addthis_button_compact" href="#" addthis:description="The rapid growth of the World Wide Web provides major new opportunities for distributed databases, especially in macromolecular science. A new generation of technology, based on structured documents (SD), is being developed which will integrate documents and data in a seamless manner. This offers experimentalists the chance to publish and archive high-quality data from any discipline. Data and documents from different disciplines can be combined and searched using technology such as eXtensible Markup Language (XML) and its associated support for hypermedia (XLL), metadata (RDF) and stylesheets (XSL). Opportunities in crystallography and related disciplines are described." addthis:title="The Globalization of Crystallographic Knowledge" addthis:url="http://dx.doi.org/10.1107/S0907444998009366"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#ba0011pr').css('display','none')" /> </a> </div> <div id="ba0011pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0011cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?ba0011" title="Statistics"> <img id="ba0011_divwide" alt="" class="art_icon downloads" style="top: 0px; left: -23px; width: 20px;" title="Statistics" src="/logos/buttonlogos/pageviews.png"/> </a> </div> <div style="opacity: 0;" class="popup"> <img class="but_close" src="/logos/buttonlogos/cross.png" /> <div class="" id="ba0011_stats"><span class="popuphd"><a title="Statistics" href="//scripts.iucr.org/cgi-bin/citedin?ba0011">Article statistics</a></span></div> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/biblio_page?ba0011" title="Download citation"> <img alt="" class="art_icon" style="top: 0px; 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A new generation of technology, based on structured documents (SD), is being developed which will integrate documents and data in a seamless manner. This offers experimentalists the chance to publish and archive high-quality data from any discipline. Data and documents from different disciplines can be combined and searched using technology such as eXtensible Markup Language (XML) and its associated support for hypermedia (XLL), metadata (RDF) and stylesheets (XSL). 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Murray-Rust</span></a></div> <div class="ica_synopsis">The rapid growth of the World Wide Web provides major new opportunities for distributed databases, especially in macromolecular science. A new generation of technology, based on structured documents (SD) and XML, is being developed which will integrate documents and data in a seamless manner.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0011/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div><hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0003/index.html" style="">1071-1077</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S0907444998007112" style="">doi: 10.1107/S0907444998007112</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0003cr" class="addthis_button_compact" href="#" addthis:description="The validation, enrichment and organization of the data stored in PDB files is essential for those data to be used accurately and efficiently for modelling, experimental design and the determination of molecular interactions. The Iditis protein structure database has been designed to allow the widest possible range of queries to be performed across all available protein structures. The Iditis database is the most comprehensive protein structure resource currently available, and contains over 500 fields of information describing all publicly deposited protein structures. A custom-written database engine and graphical user interface provide a natural and simple environment for the construction of searches for complex sequence- and structure-based motifs. Extensions and specialized interfaces allow the data generated by the database to used in conjunction with a wide range of applications." addthis:title="Iditis: Protein Structure Database" addthis:url="http://dx.doi.org/10.1107/S0907444998007112"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#ba0003pr').css('display','none')" /> </a> </div> <div id="ba0003pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0003cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?ba0003" title="Statistics"> <img id="ba0003_divwide" alt="" class="art_icon downloads" style="top: 0px; left: -23px; width: 20px;" title="Statistics" src="/logos/buttonlogos/pageviews.png"/> </a> </div> <div style="opacity: 0;" class="popup"> <img class="but_close" src="/logos/buttonlogos/cross.png" /> <div class="" id="ba0003_stats"><span class="popuphd"><a title="Statistics" href="//scripts.iucr.org/cgi-bin/citedin?ba0003">Article statistics</a></span></div> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/biblio_page?ba0003" title="Download citation"> <img alt="" class="art_icon" style="top: 0px; 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The Iditis protein structure database has been designed to allow the widest possible range of queries to be performed across all available protein structures. The Iditis database is the most comprehensive protein structure resource currently available, and contains over 500 fields of information describing all publicly deposited protein structures. A custom-written database engine and graphical user interface provide a natural and simple environment for the construction of searches for complex sequence- and structure-based motifs. Extensions and specialized interfaces allow the data generated by the database to used in conjunction with a wide range of applications." addthis:title="Iditis: Protein Structure Database" addthis:url="http://dx.doi.org/10.1107/S0907444998007112"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 69px; width: 20px;" onclick="$('#ba0003pl').css('display','none')" /> </a> </div> <div id="ba0003pl" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0003cl').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div> </div> </div> <div class="ica_openaccesslogo" style=""><div class="openaccesslogo"><div class="oalogotext" style="" title="This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.">Open <img alt="Open Access" class="oalogo" src="/logos/open.png" /> access</div></div></div> </div> <div class="clear"></div> </div> <div class="ica_body"> <div class="ica_bodyleft"> <div class="ica_thumbnail"><a href="/d/issues/1998/06/01/ba0003/index.html"><img src="/d/issues/1998/06/01/ba0003/ba0003thumbnail.gif" alt="link to html" /></a></div> </div> <div class="ica_bodyright"> <div class="ica_title"><h3 class="atl"><a href="/d/issues/1998/06/01/ba0003/index.html"><span class="it"><i>Iditis</i></span>: Protein Structure Database</a></h3></div> <div class="ica_authors"><a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Gardner%2C%20S%2E"><span class="au">S. Gardner</span></a> and <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Thornton%2C%20J%2E"><span class="au">J. Thornton</span></a></div> <div class="ica_synopsis">The <span class="it"><i>Iditis</i></span> protein structure database provides the most comprehensive set of derived information about protein structure currently available and allows rapid searching for complex motifs.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0003/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div><hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0015/index.html" style="">1078-1084</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S0907444998009378" style="">doi: 10.1107/S0907444998009378</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0015cr" class="addthis_button_compact" href="#" addthis:description="The Protein Data Bank (PDB) at Brookhaven National Laboratory, is a database containing experimentally determined three-dimensional structures of proteins, nucleic acids and other biological macromolecules, with approximately 8000 entries. Data are easily submitted via PDB's WWW-based tool AutoDep, in either mmCIF or PDB format, and are most conveniently examined via PDB's WWW-based tool 3DB Browser." addthis:title="Protein Data Bank (PDB): Database of Three-Dimensional Structural Information of Biological Macromolecules" addthis:url="http://dx.doi.org/10.1107/S0907444998009378"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#ba0015pr').css('display','none')" /> </a> </div> <div id="ba0015pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0015cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?ba0015" title="Statistics"> <img id="ba0015_divwide" alt="" class="art_icon downloads" style="top: 0px; 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Data are easily submitted via PDB's WWW-based tool AutoDep, in either mmCIF or PDB format, and are most conveniently examined via PDB's WWW-based tool 3DB Browser." addthis:title="Protein Data Bank (PDB): Database of Three-Dimensional Structural Information of Biological Macromolecules" addthis:url="http://dx.doi.org/10.1107/S0907444998009378"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 69px; width: 20px;" onclick="$('#ba0015pl').css('display','none')" /> </a> </div> <div id="ba0015pl" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0015cl').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div> </div> </div> <div class="ica_openaccesslogo" style=""><div class="openaccesslogo"><div class="oalogotext" style="" title="This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.">Open <img alt="Open Access" class="oalogo" src="/logos/open.png" /> access</div></div></div> </div> <div class="clear"></div> </div> <div class="ica_body"> <div class="ica_bodyleft"> <div class="ica_thumbnail"><a href="/d/issues/1998/06/01/ba0015/index.html"><img src="/d/issues/1998/06/01/ba0015/ba0015thumbnail.gif" alt="link to html" /></a></div> </div> <div class="ica_bodyright"> <div class="ica_title"><h3 class="atl"><a href="/d/issues/1998/06/01/ba0015/index.html">Protein Data Bank (PDB): Database of Three-Dimensional Structural Information of Biological Macromolecules</a></h3></div> <div class="ica_authors"><a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Sussman%2C%20J%2EL%2E"><span class="au">J. L. Sussman</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Lin%2C%20D%2E"><span class="au">D. Lin</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Jiang%2C%20J%2E"><span class="au">J. Jiang</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Manning%2C%20N%2EO%2E"><span class="au">N. O. Manning</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Prilusky%2C%20J%2E"><span class="au">J. Prilusky</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Ritter%2C%20O%2E"><span class="au">O. Ritter</span></a> and <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Abola%2C%20E%2EE%2E"><span class="au">E. E. Abola</span></a></div> <div class="ica_synopsis">The Protein Data Bank (PDB) at Brookhaven National Laboratory, a database containing experimentally determined three-dimensional structures of proteins, nucleic acids and other biological macromolecules, with approximately 8000 entries, is described.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0015/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div><hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0012/index.html" style="">1085-1094</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S0907444998009846" style="">doi: 10.1107/S0907444998009846</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0012cr" class="addthis_button_compact" href="#" addthis:description="Databases containing macromolecular structure data provide a crystallographer with important tools for use in solving, refining and understanding the functional significance of their protein structures. Given this importance, this paper briefly summarizes past progress by outlining the features of the significant number of relevant databases developed to date. One recent database, PDB+, containing all current and obsolete structures deposited with the Protein Data Bank (PDB) is discussed in more detail. PDB+ has been used to analyze the self-consistency of the current (1 January 1998) corpus of over 7000 structures. A summary of those findings is presented (a full discussion will appear elsewhere) in the form of global and temporal trends within the data. These trends indicate that challenges exist if crystallographers are to provide the community with complete and consistent structural results in the future. It is argued that better information management practices are required to meet these challenges." addthis:title="Macromolecular Structure Databases: Past Progress and Future Challenges" addthis:url="http://dx.doi.org/10.1107/S0907444998009846"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#ba0012pr').css('display','none')" /> </a> </div> <div id="ba0012pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0012cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?ba0012" title="Statistics"> <img id="ba0012_divwide" alt="" class="art_icon downloads" style="top: 0px; left: -23px; width: 20px;" title="Statistics" src="/logos/buttonlogos/pageviews.png"/> </a> </div> <div style="opacity: 0;" class="popup"> <img class="but_close" src="/logos/buttonlogos/cross.png" /> <div class="" id="ba0012_stats"><span class="popuphd"><a title="Statistics" href="//scripts.iucr.org/cgi-bin/citedin?ba0012">Article statistics</a></span></div> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/biblio_page?ba0012" title="Download citation"> <img alt="" class="art_icon" style="top: 0px; 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Given this importance, this paper briefly summarizes past progress by outlining the features of the significant number of relevant databases developed to date. One recent database, PDB+, containing all current and obsolete structures deposited with the Protein Data Bank (PDB) is discussed in more detail. PDB+ has been used to analyze the self-consistency of the current (1 January 1998) corpus of over 7000 structures. A summary of those findings is presented (a full discussion will appear elsewhere) in the form of global and temporal trends within the data. These trends indicate that challenges exist if crystallographers are to provide the community with complete and consistent structural results in the future. It is argued that better information management practices are required to meet these challenges." addthis:title="Macromolecular Structure Databases: Past Progress and Future Challenges" addthis:url="http://dx.doi.org/10.1107/S0907444998009846"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 69px; width: 20px;" onclick="$('#ba0012pl').css('display','none')" /> </a> </div> <div id="ba0012pl" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0012cl').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div> </div> </div> <div class="ica_openaccesslogo" style=""><div class="openaccesslogo"><div class="oalogotext" style="" title="This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.">Open <img alt="Open Access" class="oalogo" src="/logos/open.png" /> access</div></div></div> </div> <div class="clear"></div> </div> <div class="ica_body"> <div class="ica_bodyleft"> <div class="ica_thumbnail"><a href="/d/issues/1998/06/01/ba0012/index.html"><img src="/d/issues/1998/06/01/ba0012/ba0012thumbnail.gif" alt="link to html" /></a></div> </div> <div class="ica_bodyright"> <div class="ica_title"><h3 class="atl"><a href="/d/issues/1998/06/01/ba0012/index.html">Macromolecular Structure Databases: Past Progress and Future Challenges</a></h3></div> <div class="ica_authors"><a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Weissig%2C%20H%2E"><span class="au">H. Weissig</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Shindyalov%2C%20I%2EN%2E"><span class="au">I. N. Shindyalov</span></a> and <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Bourne%2C%20P%2EE%2E"><span class="au">P. E. Bourne</span></a></div> <div class="ica_synopsis">A summary of macromlecular structure databases developed to date. The authors own work indicates that data are reported inconsistently and this should be addressed in the future.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0012/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div><hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0005/index.html" style="">1095-1104</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S0907444998007926" style="">doi: 10.1107/S0907444998007926</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0005cr" class="addthis_button_compact" href="#" addthis:description="The Nucleic Acid Database (NDB) distributes information about nucleic acid-containing structures. Here the information content of the database as well as the query capabilities are described. 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Here the information content of the database as well as the query capabilities are described. A summary of how the technology developed by this project has been used to develop other macromolecular databases is given." addthis:title="The Nucleic Acid Database: A Resource for Nucleic Acid Science" addthis:url="http://dx.doi.org/10.1107/S0907444998007926"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 69px; width: 20px;" onclick="$('#ba0005pl').css('display','none')" /> </a> </div> <div id="ba0005pl" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0005cl').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div> </div> </div> <div class="ica_openaccesslogo" style=""><div class="openaccesslogo"><div class="oalogotext" style="" title="This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.">Open <img alt="Open Access" class="oalogo" src="/logos/open.png" /> access</div></div></div> </div> <div class="clear"></div> </div> <div class="ica_body"> <div class="ica_bodyleft"> <div class="ica_thumbnail"><a href="/d/issues/1998/06/01/ba0005/index.html"><img src="/d/issues/1998/06/01/ba0005/ba0005thumbnail.gif" alt="link to html" /></a></div> </div> <div class="ica_bodyright"> <div class="ica_title"><h3 class="atl"><a href="/d/issues/1998/06/01/ba0005/index.html">The Nucleic Acid Database: A Resource for Nucleic Acid Science</a></h3></div> <div class="ica_authors"><a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Berman%2C%20H%2EM%2E"><span class="au">H. M. Berman</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Zardecki%2C%20C%2E"><span class="au">C. Zardecki</span></a> and <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Westbrook%2C%20J%2E"><span class="au">J. Westbrook</span></a></div> <div class="ica_synopsis">A description is given of how the Nucleic Acid Database (NDB) is used to study nucleic acids. In addition, the way in which the technology developed by the NDB project has been extended to macromolecules in general is summarized.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0005/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div><hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0007/index.html" style="">1105-1108</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S0907444998008464" style="">doi: 10.1107/S0907444998008464</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0007cr" class="addthis_button_compact" href="#" addthis:description="Macromolecular structures are being determined at an increasing rate, and are of interest to a wide diversity of researchers. Depositing a macromolecular structure with the Protein Data Bank makes it readily available to the community. Accuracy, consistency and machine-readability of the data are essential, as are clear indications of quality, and sufficient information to allow non-experimentalists to interpret the data. Good-quality depositions are necessary to allow this to be achieved. The PDB's AutoDep system allows deposition and some preliminary automatic checking to take place at multiple sites, prior to full processing and release of the structure by the PDB. However, depositing a structure currently requires the manual entry of a large amount of information at the time of deposition. The data-harvesting approach will allow much more information to be deposited, without placing an additional burden on the depositor. Deposition-ready files will be generated automatically during the course of a structure-determination experiment. The additional information will allow improved validation procedures to be applied to the structures, and the data to be made more useful to the wider scientific community." addthis:title="Deposition of Macromolecular Structures" addthis:url="http://dx.doi.org/10.1107/S0907444998008464"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#ba0007pr').css('display','none')" /> </a> </div> <div id="ba0007pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0007cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?ba0007" title="Statistics"> <img id="ba0007_divwide" alt="" class="art_icon downloads" style="top: 0px; left: -23px; width: 20px;" title="Statistics" src="/logos/buttonlogos/pageviews.png"/> </a> </div> <div style="opacity: 0;" class="popup"> <img class="but_close" src="/logos/buttonlogos/cross.png" /> <div class="" id="ba0007_stats"><span class="popuphd"><a title="Statistics" href="//scripts.iucr.org/cgi-bin/citedin?ba0007">Article statistics</a></span></div> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/biblio_page?ba0007" title="Download citation"> <img alt="" class="art_icon" style="top: 0px; 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Depositing a macromolecular structure with the Protein Data Bank makes it readily available to the community. Accuracy, consistency and machine-readability of the data are essential, as are clear indications of quality, and sufficient information to allow non-experimentalists to interpret the data. Good-quality depositions are necessary to allow this to be achieved. The PDB's AutoDep system allows deposition and some preliminary automatic checking to take place at multiple sites, prior to full processing and release of the structure by the PDB. However, depositing a structure currently requires the manual entry of a large amount of information at the time of deposition. The data-harvesting approach will allow much more information to be deposited, without placing an additional burden on the depositor. Deposition-ready files will be generated automatically during the course of a structure-determination experiment. The additional information will allow improved validation procedures to be applied to the structures, and the data to be made more useful to the wider scientific community." addthis:title="Deposition of Macromolecular Structures" addthis:url="http://dx.doi.org/10.1107/S0907444998008464"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 69px; width: 20px;" onclick="$('#ba0007pl').css('display','none')" /> </a> </div> <div id="ba0007pl" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0007cl').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div> </div> </div> <div class="ica_openaccesslogo" style=""><div class="openaccesslogo"><div class="oalogotext" style="" title="This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.">Open <img alt="Open Access" class="oalogo" src="/logos/open.png" /> access</div></div></div> </div> <div class="clear"></div> </div> <div class="ica_body"> <div class="ica_bodyleft"> <div class="ica_thumbnail"><a href="/d/issues/1998/06/01/ba0007/index.html"><img src="/d/issues/1998/06/01/ba0007/ba0007thumbnail.gif" alt="link to html" /></a></div> </div> <div class="ica_bodyright"> <div class="ica_title"><h3 class="atl"><a href="/d/issues/1998/06/01/ba0007/index.html">Deposition of Macromolecular Structures</a></h3></div> <div class="ica_authors"><a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Keller%2C%20P%2EA%2E"><span class="au">P. A. Keller</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Henrick%2C%20K%2E"><span class="au">K. Henrick</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=McNeil%2C%20P%2E"><span class="au">P. McNeil</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Moodie%2C%20S%2E"><span class="au">S. Moodie</span></a> and <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Barton%2C%20G%2EJ%2E"><span class="au">G. J. Barton</span></a></div> <div class="ica_synopsis">A discussion is presented of some of the issues involved in depositing and releasing macromolecular structural information, and an outline of future directions.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0007/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div><hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0009/index.html" style="">1109-1118</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S0907444998007136" style="">doi: 10.1107/S0907444998007136</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0009cr" class="addthis_button_compact" href="#" addthis:description="The importance of validation techniques in X-ray structure determination and their relation to refinement procedures are discussed, with particular reference to atomic resolution structures. The requirements of deposition and publication, and the role of validation tools in this are analysed. The need for a rigorously defined file format is emphasized." addthis:title="The Role of Validation in Macromolecular Crystallography" addthis:url="http://dx.doi.org/10.1107/S0907444998007136"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#ba0009pr').css('display','none')" /> </a> </div> <div id="ba0009pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0009cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?ba0009" title="Statistics"> <img id="ba0009_divwide" alt="" class="art_icon downloads" style="top: 0px; left: -23px; width: 20px;" title="Statistics" src="/logos/buttonlogos/pageviews.png"/> </a> </div> <div style="opacity: 0;" class="popup"> <img class="but_close" src="/logos/buttonlogos/cross.png" /> <div class="" id="ba0009_stats"><span class="popuphd"><a title="Statistics" href="//scripts.iucr.org/cgi-bin/citedin?ba0009">Article statistics</a></span></div> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/biblio_page?ba0009" title="Download citation"> <img alt="" class="art_icon" style="top: 0px; 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The requirements of deposition and publication, and the role of validation tools in this are analysed. The need for a rigorously defined file format is emphasized." addthis:title="The Role of Validation in Macromolecular Crystallography" addthis:url="http://dx.doi.org/10.1107/S0907444998007136"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 69px; width: 20px;" onclick="$('#ba0009pl').css('display','none')" /> </a> </div> <div id="ba0009pl" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0009cl').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div> </div> </div> <div class="ica_openaccesslogo" style=""><div class="openaccesslogo"><div class="oalogotext" style="" title="This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.">Open <img alt="Open Access" class="oalogo" src="/logos/open.png" /> access</div></div></div> </div> <div class="clear"></div> </div> <div class="ica_body"> <div class="ica_bodyleft"> <div class="ica_thumbnail"><a href="/d/issues/1998/06/01/ba0009/index.html"><img src="/d/issues/1998/06/01/ba0009/ba0009thumbnail.gif" alt="link to html" /></a></div> </div> <div class="ica_bodyright"> <div class="ica_title"><h3 class="atl"><a href="/d/issues/1998/06/01/ba0009/index.html">The Role of Validation in Macromolecular Crystallography</a></h3></div> <div class="ica_authors"><a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Dodson%2C%20E%2EJ%2E"><span class="au">E. Dodson</span></a></div> <div class="ica_synopsis">The importance of validation techniques in X-ray structure determination and their relation to refinement procedures are discussed, with particular reference to atomic resolution structures. The requirements of deposition and publication, and the role of validation tools in this are analysed. The need for a rigorously defined file format is emphasized.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0009/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div><hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0001/index.html" style="">1119-1131</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S0907444998007100" style="">doi: 10.1107/S0907444998007100</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0001cr" class="addthis_button_compact" href="#" addthis:description="Applications of structural databases in the protein crystallographic structure determination process are reviewed, using mostly examples from work carried out by the authors. Four application areas are discussed: model building, model refinement, model validation and model analysis." addthis:title="Databases in Protein Crystallography" addthis:url="http://dx.doi.org/10.1107/S0907444998007100"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#ba0001pr').css('display','none')" /> </a> </div> <div id="ba0001pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0001cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?ba0001" title="Statistics"> <img id="ba0001_divwide" alt="" class="art_icon downloads" style="top: 0px; left: -23px; width: 20px;" title="Statistics" src="/logos/buttonlogos/pageviews.png"/> </a> </div> <div style="opacity: 0;" class="popup"> <img class="but_close" src="/logos/buttonlogos/cross.png" /> <div class="" id="ba0001_stats"><span class="popuphd"><a title="Statistics" href="//scripts.iucr.org/cgi-bin/citedin?ba0001">Article statistics</a></span></div> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/biblio_page?ba0001" title="Download citation"> <img alt="" class="art_icon" style="top: 0px; 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left: 46px; width: 20px;" title="Statistics" src="/logos/buttonlogos/pageviews.png"/> </a> </div> <div style="opacity: 0;" class="popup"> <img class="but_close" src="/logos/buttonlogos/cross.png" /> <div class="" id="ba0001_stnar"><span class="popuphd"><a title="Statistics" href="//scripts.iucr.org/cgi-bin/citedin?ba0001">Article statistics</a></span></div> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0001cl" class="addthis_button_compact" href="#" addthis:description="Applications of structural databases in the protein crystallographic structure determination process are reviewed, using mostly examples from work carried out by the authors. Four application areas are discussed: model building, model refinement, model validation and model analysis." addthis:title="Databases in Protein Crystallography" addthis:url="http://dx.doi.org/10.1107/S0907444998007100"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 69px; width: 20px;" onclick="$('#ba0001pl').css('display','none')" /> </a> </div> <div id="ba0001pl" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0001cl').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div> </div> </div> <div class="ica_openaccesslogo" style=""><div class="openaccesslogo"><div class="oalogotext" style="" title="This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.">Open <img alt="Open Access" class="oalogo" src="/logos/open.png" /> access</div></div></div> </div> <div class="clear"></div> </div> <div class="ica_body"> <div class="ica_bodyleft"> <div class="ica_thumbnail"><a href="/d/issues/1998/06/01/ba0001/index.html"><img src="/d/issues/1998/06/01/ba0001/ba0001thumbnail.gif" alt="link to html" /></a></div> </div> <div class="ica_bodyright"> <div class="ica_title"><h3 class="atl"><a href="/d/issues/1998/06/01/ba0001/index.html">Databases in Protein Crystallography</a></h3></div> <div class="ica_authors"><a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Kleywegt%2C%20G%2EJ%2E"><span class="au">G. J. Kleywegt</span></a> and <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Jones%2C%20T%2EA%2E"><span class="au">T. A. Jones</span></a></div> <div class="ica_synopsis">The use of databases for protein crystallographic model building, refinement, validation and analysis is reviewed, and some recent developments are discussed.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0001/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div><hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0002/index.html" style="">1132-1138</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S0907444998007318" style="">doi: 10.1107/S0907444998007318</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0002cr" class="addthis_button_compact" href="#" addthis:description="The determination of protein structures has furthered our understanding of how various proteins perform their functions. With the large number of structures currently available in the PDB, it is necessary to be able to easily study these proteins in detail. Here new software tools are presented which aim to facilitate this analysis; these include the PDBsum WWW site which provides a summary description of all PDB entries, the programs TOPS and NUCPLOT to plot schematic diagrams representing protein topology and DNA-binding interactions, SAS a WWW-based sequence-analysis tool incorporating structural data, and WWW servers for the analysis of protein-protein interfaces and analyses of over 300 haem-binding proteins." addthis:title="New Tools and Resources for Analysing Protein Structures and Their Interactions" addthis:url="http://dx.doi.org/10.1107/S0907444998007318"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#ba0002pr').css('display','none')" /> </a> </div> <div id="ba0002pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0002cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?ba0002" title="Statistics"> <img id="ba0002_divwide" alt="" class="art_icon downloads" style="top: 0px; 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With the large number of structures currently available in the PDB, it is necessary to be able to easily study these proteins in detail. Here new software tools are presented which aim to facilitate this analysis; these include the PDBsum WWW site which provides a summary description of all PDB entries, the programs TOPS and NUCPLOT to plot schematic diagrams representing protein topology and DNA-binding interactions, SAS a WWW-based sequence-analysis tool incorporating structural data, and WWW servers for the analysis of protein-protein interfaces and analyses of over 300 haem-binding proteins." addthis:title="New Tools and Resources for Analysing Protein Structures and Their Interactions" addthis:url="http://dx.doi.org/10.1107/S0907444998007318"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 69px; width: 20px;" onclick="$('#ba0002pl').css('display','none')" /> </a> </div> <div id="ba0002pl" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0002cl').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div> </div> </div> <div class="ica_openaccesslogo" style=""><div class="openaccesslogo"><div class="oalogotext" style="" title="This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.">Open <img alt="Open Access" class="oalogo" src="/logos/open.png" /> access</div></div></div> </div> <div class="clear"></div> </div> <div class="ica_body"> <div class="ica_bodyleft"> <div class="ica_thumbnail"><a href="/d/issues/1998/06/01/ba0002/index.html"><img src="/d/issues/1998/06/01/ba0002/ba0002thumbnail.gif" alt="link to html" /></a></div> </div> <div class="ica_bodyright"> <div class="ica_title"><h3 class="atl"><a href="/d/issues/1998/06/01/ba0002/index.html">New Tools and Resources for Analysing Protein Structures and Their Interactions</a></h3></div> <div class="ica_authors"><a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Luscombe%2C%20N%2EM%2E"><span class="au">N. M. Luscombe</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Laskowski%2C%20R%2EA%2E"><span class="au">R. A. Laskowski</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Westhead%2C%20D%2ER%2E"><span class="au">D. R. Westhead</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Milburn%2C%20D%2E"><span class="au">D. Milburn</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Jones%2C%20S%2E"><span class="au">S. Jones</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Karmirantzou%2C%20M%2E"><span class="au">M. Karmirantzou</span></a> and <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Thornton%2C%20J%2EM%2E"><span class="au">J. M. Thornton</span></a></div> <div class="ica_synopsis">A description of new analytical software tools and WWW servers for studying protein sequence, structure and function is presented.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0002/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div><hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0017/index.html" style="">1139-1146</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S0907444998008324" style="">doi: 10.1107/S0907444998008324</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0017cr" class="addthis_button_compact" href="#" addthis:description="The basic algorithms for alignment of two or more protein sequences are explained. Alternative methods for scoring substitutions and gaps (insertions and deletions) are described, as are global and local alignment methods. Multiple alignment techniques are explained, including methods for profile comparison. A summary is given of programs for the alignment and analysis of protein sequences, either from sequence alone, or from three-dimensional structure." addthis:title="Protein Sequence Alignment Techniques" addthis:url="http://dx.doi.org/10.1107/S0907444998008324"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#ba0017pr').css('display','none')" /> </a> </div> <div id="ba0017pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0017cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?ba0017" title="Statistics"> <img id="ba0017_divwide" alt="" class="art_icon downloads" style="top: 0px; left: -23px; width: 20px;" title="Statistics" src="/logos/buttonlogos/pageviews.png"/> </a> </div> <div style="opacity: 0;" class="popup"> <img class="but_close" src="/logos/buttonlogos/cross.png" /> <div class="" id="ba0017_stats"><span class="popuphd"><a title="Statistics" href="//scripts.iucr.org/cgi-bin/citedin?ba0017">Article statistics</a></span></div> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/biblio_page?ba0017" title="Download citation"> <img alt="" class="art_icon" style="top: 0px; 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Alternative methods for scoring substitutions and gaps (insertions and deletions) are described, as are global and local alignment methods. Multiple alignment techniques are explained, including methods for profile comparison. A summary is given of programs for the alignment and analysis of protein sequences, either from sequence alone, or from three-dimensional structure." addthis:title="Protein Sequence Alignment Techniques" addthis:url="http://dx.doi.org/10.1107/S0907444998008324"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 69px; width: 20px;" onclick="$('#ba0017pl').css('display','none')" /> </a> </div> <div id="ba0017pl" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0017cl').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div> </div> </div> <div class="ica_openaccesslogo" style=""><div class="openaccesslogo"><div class="oalogotext" style="" title="This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.">Open <img alt="Open Access" class="oalogo" src="/logos/open.png" /> access</div></div></div> </div> <div class="clear"></div> </div> <div class="ica_body"> <div class="ica_bodyleft"> <div class="ica_thumbnail"><a href="/d/issues/1998/06/01/ba0017/index.html"><img src="/d/issues/1998/06/01/ba0017/ba0017thumbnail.gif" alt="link to html" /></a></div> </div> <div class="ica_bodyright"> <div class="ica_title"><h3 class="atl"><a href="/d/issues/1998/06/01/ba0017/index.html">Protein Sequence Alignment Techniques</a></h3></div> <div class="ica_authors"><a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Barton%2C%20G%2EJ%2E"><span class="au">G. J. Barton</span></a></div> <div class="ica_synopsis">Algorithms for alignment of two or more protein sequences are described. Software for sequence analysis and database searching is summarized.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0017/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div><hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0014/index.html" style="">1147-1154</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S0907444998009172" style="">doi: 10.1107/S0907444998009172</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0014cr" class="addthis_button_compact" href="#" addthis:description="The Structural Classification of Proteins (SCOP) database provides a detailed and comprehensive description of the relationships of all known protein structures. The classification is on hierarchical levels: the first two levels, family and superfamily, describe near and far evolutionary relationships; the third, fold, describes geometrical relationships. The distinction between evolutionary relationships and those that arise from the physics and chemistry of proteins is a feature that is unique to this database, so far. The database can be used as a source of data to calibrate sequence search algorithms and for the generation of population statistics on protein structures. The database and its associated files are freely accessible from a number of WWW sites mirrored from URL http://scop.mrc-lmb.cam.ac.uk/scop/." addthis:title="SCOP, Structural Classification of Proteins Database: Applications to Evaluation of the Effectiveness of Sequence Alignment Methods and Statistics of Protein Structural Data" addthis:url="http://dx.doi.org/10.1107/S0907444998009172"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#ba0014pr').css('display','none')" /> </a> </div> <div id="ba0014pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0014cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?ba0014" title="Statistics"> <img id="ba0014_divwide" alt="" class="art_icon downloads" style="top: 0px; 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left: 46px; width: 20px;" title="Statistics" src="/logos/buttonlogos/pageviews.png"/> </a> </div> <div style="opacity: 0;" class="popup"> <img class="but_close" src="/logos/buttonlogos/cross.png" /> <div class="" id="ba0014_stnar"><span class="popuphd"><a title="Statistics" href="//scripts.iucr.org/cgi-bin/citedin?ba0014">Article statistics</a></span></div> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0014cl" class="addthis_button_compact" href="#" addthis:description="The Structural Classification of Proteins (SCOP) database provides a detailed and comprehensive description of the relationships of all known protein structures. The classification is on hierarchical levels: the first two levels, family and superfamily, describe near and far evolutionary relationships; the third, fold, describes geometrical relationships. The distinction between evolutionary relationships and those that arise from the physics and chemistry of proteins is a feature that is unique to this database, so far. The database can be used as a source of data to calibrate sequence search algorithms and for the generation of population statistics on protein structures. The database and its associated files are freely accessible from a number of WWW sites mirrored from URL http://scop.mrc-lmb.cam.ac.uk/scop/." addthis:title="SCOP, Structural Classification of Proteins Database: Applications to Evaluation of the Effectiveness of Sequence Alignment Methods and Statistics of Protein Structural Data" addthis:url="http://dx.doi.org/10.1107/S0907444998009172"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 69px; width: 20px;" onclick="$('#ba0014pl').css('display','none')" /> </a> </div> <div id="ba0014pl" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0014cl').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div> </div> </div> <div class="ica_openaccesslogo" style=""><div class="openaccesslogo"><div class="oalogotext" style="" title="This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.">Open <img alt="Open Access" class="oalogo" src="/logos/open.png" /> access</div></div></div> </div> <div class="clear"></div> </div> <div class="ica_body"> <div class="ica_bodyleft"> <div class="ica_thumbnail"><a href="/d/issues/1998/06/01/ba0014/index.html"><img src="/d/issues/1998/06/01/ba0014/ba0014thumbnail.gif" alt="link to html" /></a></div> </div> <div class="ica_bodyright"> <div class="ica_title"><h3 class="atl"><a href="/d/issues/1998/06/01/ba0014/index.html">SCOP, Structural Classification of Proteins Database: Applications to Evaluation of the Effectiveness of Sequence Alignment Methods and Statistics of Protein Structural Data</a></h3></div> <div class="ica_authors"><a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Hubbard%2C%20T%2EJ%2EP%2E"><span class="au">T. J. P. Hubbard</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Ailey%2C%20B%2E"><span class="au">B. Ailey</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Brenner%2C%20S%2EE%2E"><span class="au">S. E. Brenner</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Murzin%2C%20A%2EG%2E"><span class="au">A. G. Murzin</span></a> and <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Chothia%2C%20C%2E"><span class="au">C. Chothia</span></a></div> <div class="ica_synopsis">The Structural Classification of Proteins (SCOP) database is described. It provides a detailed and comprehensive description of the relationships of all known protein structures and can be used as a source of data to calibrate sequence search algorithms and for the generation of population statistics on protein structures.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0014/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div><hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0008/index.html" style="">1155-1167</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S0907444998007501" style="">doi: 10.1107/S0907444998007501</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0008cr" class="addthis_button_compact" href="#" addthis:description="The CATH database of protein domain structures classifies structures according to their (C)lass, (A)rchitecture, (T)opology or fold and (H)omologous family (http://www.biochem.ucl.ac.uk/bsm/cath). Although the protocol used is mostly automatic, manual inspection is used to check assignments at some critical stages, such as the detection of very distantly related homologues and anologues and the assignment of novel architectures. Described in this article is a recently established facility to search the database with the coordinates of a newly determined structure. The CATH server first locates domain boundaries and then uses automatic sequence and structure comparison methods to assign this new structure to one or more of the domain families within CATH. Diagnostic reports are generated, together with multiple structural alignments for close relatives. The Server can be accessed over the World Wide Web (WWW) and mirror sites are planned to improve access." addthis:title="Classifying a Protein in the CATH Database of Domain Structures" addthis:url="http://dx.doi.org/10.1107/S0907444998007501"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#ba0008pr').css('display','none')" /> </a> </div> <div id="ba0008pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0008cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?ba0008" title="Statistics"> <img id="ba0008_divwide" alt="" class="art_icon downloads" style="top: 0px; left: -23px; width: 20px;" title="Statistics" src="/logos/buttonlogos/pageviews.png"/> </a> </div> <div style="opacity: 0;" class="popup"> <img class="but_close" src="/logos/buttonlogos/cross.png" /> <div class="" id="ba0008_stats"><span class="popuphd"><a title="Statistics" href="//scripts.iucr.org/cgi-bin/citedin?ba0008">Article statistics</a></span></div> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/biblio_page?ba0008" title="Download citation"> <img alt="" class="art_icon" style="top: 0px; 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Although the protocol used is mostly automatic, manual inspection is used to check assignments at some critical stages, such as the detection of very distantly related homologues and anologues and the assignment of novel architectures. Described in this article is a recently established facility to search the database with the coordinates of a newly determined structure. The CATH server first locates domain boundaries and then uses automatic sequence and structure comparison methods to assign this new structure to one or more of the domain families within CATH. Diagnostic reports are generated, together with multiple structural alignments for close relatives. The Server can be accessed over the World Wide Web (WWW) and mirror sites are planned to improve access." addthis:title="Classifying a Protein in the CATH Database of Domain Structures" addthis:url="http://dx.doi.org/10.1107/S0907444998007501"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 69px; width: 20px;" onclick="$('#ba0008pl').css('display','none')" /> </a> </div> <div id="ba0008pl" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0008cl').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div> </div> </div> <div class="ica_openaccesslogo" style=""><div class="openaccesslogo"><div class="oalogotext" style="" title="This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.">Open <img alt="Open Access" class="oalogo" src="/logos/open.png" /> access</div></div></div> </div> <div class="clear"></div> </div> <div class="ica_body"> <div class="ica_bodyleft"> <div class="ica_thumbnail"><a href="/d/issues/1998/06/01/ba0008/index.html"><img src="/d/issues/1998/06/01/ba0008/ba0008thumbnail.gif" alt="link to html" /></a></div> </div> <div class="ica_bodyright"> <div class="ica_title"><h3 class="atl"><a href="/d/issues/1998/06/01/ba0008/index.html">Classifying a Protein in the CATH Database of Domain Structures</a></h3></div> <div class="ica_authors"><a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Orengo%2C%20C%2EA%2E"><span class="au">C. A. Orengo</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Martin%2C%20A%2EM%2E"><span class="au">A. M. Martin</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Hutchinson%2C%20G%2E"><span class="au">G. Hutchinson</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Jones%2C%20S%2E"><span class="au">S. Jones</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Jones%2C%20D%2EJ%2E"><span class="au">D. J. Jones</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Michie%2C%20A%2ED%2E"><span class="au">A. D. Michie</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Swindells%2C%20M%2EB%2E"><span class="au">M. B. Swindells</span></a> and <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Thornton%2C%20J%2EM%2E"><span class="au">J. M. Thornton</span></a></div> <div class="ica_synopsis">The CATH database of protein domain structures classifies structures according to their (C)lass, (A)rchitecture, (T)opology or fold and (H)omologous family. Although the protocol used is mostly automatic, manual inspection is used to check assignments at some critical stages. Described in this article is a recently established facility to search the database with the coordinates of a newly determined structure.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0008/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div><hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0010/index.html" style="">1168-1177</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S0907444998007148" style="">doi: 10.1107/S0907444998007148</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0010cr" class="addthis_button_compact" href="#" addthis:description="This paper reports the availability of a database of protein structural domains (DDBASE), an alignment database of homologous proteins (HOMSTRAD) and a database of structurally aligned superfamilies (CAMPASS) on the World Wide Web (WWW). DDBASE contains information on the organization of structural domains and their boundaries; it includes only one representative domain from each of the homologous families. This database has been derived by identifying the presence of structural domains in proteins on the basis of inter-secondary structural distances using the program DIAL [Sowdhamini & Blundell (1995), Protein Sci. 4, 506-520]. The alignment of proteins in superfamilies has been performed on the basis of the structural features and relationships of individual residues using the program COMPARER [Sali & Blundell (1990), J. Mol. Biol. 212, 403-428]. The alignment databases contain information on the conserved structural features in homologous proteins and those belonging to superfamilies. Available data include the sequence alignments in structure-annotated formats and the provision for viewing superposed structures of proteins using a graphical interface. Such information, which is freely accessible on the WWW, should be of value to crystallographers in the comparison of newly determined protein structures with previously identified protein domains or existing families." addthis:title="Protein Three-Dimensional Structural Databases: Domains, Structurally Aligned Homologues and Superfamilies" addthis:url="http://dx.doi.org/10.1107/S0907444998007148"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#ba0010pr').css('display','none')" /> </a> </div> <div id="ba0010pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0010cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?ba0010" title="Statistics"> <img id="ba0010_divwide" alt="" class="art_icon downloads" style="top: 0px; 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DDBASE contains information on the organization of structural domains and their boundaries; it includes only one representative domain from each of the homologous families. This database has been derived by identifying the presence of structural domains in proteins on the basis of inter-secondary structural distances using the program DIAL [Sowdhamini & Blundell (1995), Protein Sci. 4, 506-520]. The alignment of proteins in superfamilies has been performed on the basis of the structural features and relationships of individual residues using the program COMPARER [Sali & Blundell (1990), J. Mol. Biol. 212, 403-428]. The alignment databases contain information on the conserved structural features in homologous proteins and those belonging to superfamilies. Available data include the sequence alignments in structure-annotated formats and the provision for viewing superposed structures of proteins using a graphical interface. Such information, which is freely accessible on the WWW, should be of value to crystallographers in the comparison of newly determined protein structures with previously identified protein domains or existing families." addthis:title="Protein Three-Dimensional Structural Databases: Domains, Structurally Aligned Homologues and Superfamilies" addthis:url="http://dx.doi.org/10.1107/S0907444998007148"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 69px; width: 20px;" onclick="$('#ba0010pl').css('display','none')" /> </a> </div> <div id="ba0010pl" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0010cl').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div> </div> </div> <div class="ica_openaccesslogo" style=""><div class="openaccesslogo"><div class="oalogotext" style="" title="This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.">Open <img alt="Open Access" class="oalogo" src="/logos/open.png" /> access</div></div></div> </div> <div class="clear"></div> </div> <div class="ica_body"> <div class="ica_bodyleft"> <div class="ica_thumbnail"><a href="/d/issues/1998/06/01/ba0010/index.html"><img src="/d/issues/1998/06/01/ba0010/ba0010thumbnail.gif" alt="link to html" /></a></div> </div> <div class="ica_bodyright"> <div class="ica_title"><h3 class="atl"><a href="/d/issues/1998/06/01/ba0010/index.html">Protein Three-Dimensional Structural Databases: Domains, Structurally Aligned Homologues and Superfamilies</a></h3></div> <div class="ica_authors"><a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Sowdhamini%2C%20R%2E"><span class="au">R. Sowdhamini</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Burke%2C%20D%2EF%2E"><span class="au">D. F. Burke</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Deane%2C%20C%2E"><span class="au">C. Deane</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Huang%2C%20J%2E"><span class="au">J.- Huang</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Mizuguchi%2C%20K%2E"><span class="au">K. Mizuguchi</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Nagarajaram%2C%20H%2EA%2E"><span class="au">H. A. Nagarajaram</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Overington%2C%20J%2EP%2E"><span class="au">J. P. Overington</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Srinivasan%2C%20N%2E"><span class="au">N. Srinivasan</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Steward%2C%20R%2EE%2E"><span class="au">R. E. Steward</span></a> and <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Blundell%2C%20T%2EL%2E"><span class="au">T. L. Blundell</span></a></div> <div class="ica_synopsis">Databases of protein structural domains (DDBASE), aligned homologous protein structures (HOMSTRAD) and structurally aligned protein superfamilies (CAMPASS) are available on the WWW.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0010/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div><hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0006/index.html" style="">1178-1182</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S0907444998007124" style="">doi: 10.1107/S0907444998007124</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0006cr" class="addthis_button_compact" href="#" addthis:description="Recent advances in experimental techniques have led to an enormous explosion of available data about protein-ligand complexes. To exploit the information that is hidden in these large data, collection tools for managing and accessing huge data collections are needed. This paper discusses databases for protein-ligand data which are accessible via the World Wide Web. A strong focus is placed on the ReLiBase database system which is a new three-dimensional database for storing and analysing structures of protein-ligand complexes currently deposited in the Brookhaven Protein Data Bank (PDB). ReLiBase contains efficient query tools for identifying and analysing ligands and protein-ligand complexes. Its application for structure-based drug design is illustrated." addthis:title="Databases for Protein-Ligand Complexes" addthis:url="http://dx.doi.org/10.1107/S0907444998007124"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#ba0006pr').css('display','none')" /> </a> </div> <div id="ba0006pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0006cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?ba0006" title="Statistics"> <img id="ba0006_divwide" alt="" class="art_icon downloads" style="top: 0px; left: -23px; width: 20px;" title="Statistics" src="/logos/buttonlogos/pageviews.png"/> </a> </div> <div style="opacity: 0;" class="popup"> <img class="but_close" src="/logos/buttonlogos/cross.png" /> <div class="" id="ba0006_stats"><span class="popuphd"><a title="Statistics" href="//scripts.iucr.org/cgi-bin/citedin?ba0006">Article statistics</a></span></div> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/biblio_page?ba0006" title="Download citation"> <img alt="" class="art_icon" style="top: 0px; 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To exploit the information that is hidden in these large data, collection tools for managing and accessing huge data collections are needed. This paper discusses databases for protein-ligand data which are accessible via the World Wide Web. A strong focus is placed on the ReLiBase database system which is a new three-dimensional database for storing and analysing structures of protein-ligand complexes currently deposited in the Brookhaven Protein Data Bank (PDB). ReLiBase contains efficient query tools for identifying and analysing ligands and protein-ligand complexes. Its application for structure-based drug design is illustrated." addthis:title="Databases for Protein-Ligand Complexes" addthis:url="http://dx.doi.org/10.1107/S0907444998007124"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 69px; width: 20px;" onclick="$('#ba0006pl').css('display','none')" /> </a> </div> <div id="ba0006pl" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0006cl').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div> </div> </div> <div class="ica_openaccesslogo" style=""><div class="openaccesslogo"><div class="oalogotext" style="" title="This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.">Open <img alt="Open Access" class="oalogo" src="/logos/open.png" /> access</div></div></div> </div> <div class="clear"></div> </div> <div class="ica_body"> <div class="ica_bodyleft"> <div class="ica_thumbnail"><a href="/d/issues/1998/06/01/ba0006/index.html"><img src="/d/issues/1998/06/01/ba0006/ba0006thumbnail.gif" alt="link to html" /></a></div> </div> <div class="ica_bodyright"> <div class="ica_title"><h3 class="atl"><a href="/d/issues/1998/06/01/ba0006/index.html">Databases for Protein–Ligand Complexes</a></h3></div> <div class="ica_authors"><a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Hendlich%2C%20M%2E"><span class="au">M. Hendlich</span></a></div> <div class="ica_synopsis">A survey of novel database tools for the analysis of protein–ligand interactions.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0006/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div><hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0004/index.html" style="">1183-1193</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S0907444998008932" style="">doi: 10.1107/S0907444998008932</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0004cr" class="addthis_button_compact" href="#" addthis:description="Analysis of data from the IsoStar library shows that many hydrophobic groups exhibit strikingly strong directional preferences in their intermolecular interactions. Specific directional interactions may occur because of the large quadrupole moments of many aromatic ring systems, the residual electropositive charge on most carbon-bound H atoms and the effects of polarization on soft hetero-ring atoms such as sulfur. In consequence, the binding of a hydrophobic group to a hydrophobic protein cavity is not simply a matter of matching complementary shapes. Directional preferences of nonbonded contacts to hydrophobic groups may need to be taken into account in parameterizing the next generation of protein-ligand docking programs." addthis:title="Directional Preferences of Intermolecular Contacts to Hydrophobic Groups" addthis:url="http://dx.doi.org/10.1107/S0907444998008932"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#ba0004pr').css('display','none')" /> </a> </div> <div id="ba0004pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0004cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?ba0004" title="Statistics"> <img id="ba0004_divwide" alt="" class="art_icon downloads" style="top: 0px; 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left: 46px; width: 20px;" title="Statistics" src="/logos/buttonlogos/pageviews.png"/> </a> </div> <div style="opacity: 0;" class="popup"> <img class="but_close" src="/logos/buttonlogos/cross.png" /> <div class="" id="ba0004_stnar"><span class="popuphd"><a title="Statistics" href="//scripts.iucr.org/cgi-bin/citedin?ba0004">Article statistics</a></span></div> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0004cl" class="addthis_button_compact" href="#" addthis:description="Analysis of data from the IsoStar library shows that many hydrophobic groups exhibit strikingly strong directional preferences in their intermolecular interactions. Specific directional interactions may occur because of the large quadrupole moments of many aromatic ring systems, the residual electropositive charge on most carbon-bound H atoms and the effects of polarization on soft hetero-ring atoms such as sulfur. In consequence, the binding of a hydrophobic group to a hydrophobic protein cavity is not simply a matter of matching complementary shapes. Directional preferences of nonbonded contacts to hydrophobic groups may need to be taken into account in parameterizing the next generation of protein-ligand docking programs." addthis:title="Directional Preferences of Intermolecular Contacts to Hydrophobic Groups" addthis:url="http://dx.doi.org/10.1107/S0907444998008932"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 69px; width: 20px;" onclick="$('#ba0004pl').css('display','none')" /> </a> </div> <div id="ba0004pl" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0004cl').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div> </div> </div> <div class="ica_openaccesslogo" style=""><div class="openaccesslogo"><div class="oalogotext" style="" title="This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.">Open <img alt="Open Access" class="oalogo" src="/logos/open.png" /> access</div></div></div> </div> <div class="clear"></div> </div> <div class="ica_body"> <div class="ica_bodyleft"> <div class="ica_thumbnail"><a href="/d/issues/1998/06/01/ba0004/index.html"><img src="/d/issues/1998/06/01/ba0004/ba0004thumbnail.gif" alt="link to html" /></a></div> </div> <div class="ica_bodyright"> <div class="ica_title"><h3 class="atl"><a href="/d/issues/1998/06/01/ba0004/index.html">Directional Preferences of Intermolecular Contacts to Hydrophobic Groups</a></h3></div> <div class="ica_authors"><a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Cole%2C%20J%2EC%2E"><span class="au">J. C. Cole</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Taylor%2C%20R%2E"><span class="au">R. Taylor</span></a> and <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Verdonk%2C%20M%2EL%2E"><span class="au">M. L. Verdonk</span></a></div> <div class="ica_synopsis">Analysis of data from the IsoStar library shows that many hydrophobic groups exhibit strikingly strong directional preferences in their intermolecular interactions. These directional preferences may need to be taken into account in parameterizing the next generation of protein–ligand docking programs.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0004/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div><hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0016/index.html" style="">1194-1198</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S0907444998007744" style="">doi: 10.1107/S0907444998007744</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0016cr" class="addthis_button_compact" href="#" addthis:description="The origins, scope and utility of compilations of metal-ligand and intraligand bond lengths based on the Cambridge Structural Database are discussed. The limitations on the apparent uncertainty of metal-ligand bond lengths derived from crystallographic data and recent evidence of metal-assisted hydrogen bonding involving ligands are reviewed in the light of the transferability of bond-length values from one crystal structure determination." addthis:title="Metal Complex Geometries in Small-Molecule Crystals" addthis:url="http://dx.doi.org/10.1107/S0907444998007744"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#ba0016pr').css('display','none')" /> </a> </div> <div id="ba0016pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0016cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?ba0016" title="Statistics"> <img id="ba0016_divwide" alt="" class="art_icon downloads" style="top: 0px; 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The limitations on the apparent uncertainty of metal-ligand bond lengths derived from crystallographic data and recent evidence of metal-assisted hydrogen bonding involving ligands are reviewed in the light of the transferability of bond-length values from one crystal structure determination." addthis:title="Metal Complex Geometries in Small-Molecule Crystals" addthis:url="http://dx.doi.org/10.1107/S0907444998007744"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 69px; width: 20px;" onclick="$('#ba0016pl').css('display','none')" /> </a> </div> <div id="ba0016pl" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0016cl').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div> </div> </div> <div class="ica_openaccesslogo" style=""><div class="openaccesslogo"><div class="oalogotext" style="" title="This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.">Open <img alt="Open Access" class="oalogo" src="/logos/open.png" /> access</div></div></div> </div> <div class="clear"></div> </div> <div class="ica_body"> <div class="ica_bodyleft"> <div class="ica_thumbnail"><a href="/d/issues/1998/06/01/ba0016/index.html"><img src="/d/issues/1998/06/01/ba0016/ba0016thumbnail.gif" alt="link to html" /></a></div> </div> <div class="ica_bodyright"> <div class="ica_title"><h3 class="atl"><a href="/d/issues/1998/06/01/ba0016/index.html">Metal Complex Geometries in Small-Molecule Crystals</a></h3></div> <div class="ica_authors"><a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Orpen%2C%20A%2EG%2E"><span class="au">A. G. Orpen</span></a></div> <div class="ica_synopsis">The reliability and transferability of <span class="it"><i>M</i></span>—<span class="it"><i>L</i></span> bond lengths and <span class="it"><i>L</i></span>—<span class="it"><i>M</i></span>—<span class="it"><i>L</i></span> bond angles from crystal structure is considered in the light of the utility of tables of `typical' bond lengths in transition-metal complexes.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0016/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div><hr style="-moz-box-sizing: content-box; box-sizing: content-box; height:1px; border-width:0; color:#b0b0b0; background-color:#b0b0b0;" /> <div class="issuecontentsarticle"> <div class="ica_header"> <div class="ica_headerleft"> <div class="jinfo_topiclogo"><span class="hl_title" style=""></span></div> <div class="ica_header" style=""> <span style=""><span style="font-style:italic;">Acta Cryst.</span></span><span style="color:#000;"> (1998). </span>D<b><a href="/d/services/archive.html" style="">54</a></b>, <span><a href="/d/issues/1998/06/01/ba0013/index.html" style="">1199-1206</a></span><br/><span class="ica_doi" style=""><a href="http://dx.doi.org/10.1107/S090744499800715X" style="">doi: 10.1107/S090744499800715X</a></span> </div> </div> <div class="ica_headerright" style=""> <div class="art_issuecontentsfunctions"> <div class="article_functions af_horizontal">  <div class="bubbleInfo"> <div class="sidebutton"> <a id="ba0013cr" class="addthis_button_compact" href="#" addthis:description="Information on the preparation and characterization of heavy-atom derivatives of protein crystals has been collected, either from the literature or directly from protein crystallographers, and assembled in the form of a heavy-atom data bank (HAD). The data bank contains coordinate data for the heavy-atom positions in a form that is compatible with the crystallographic data in the Brookhaven Protein Data Bank, together with a wealth of information on the crystallization conditions, the nature of the heavy-atom reagent and references to relevant publications. Some statistical information derived from the data bank, such as the most popular heavy-atom derivatives, is also included. The information can be directly accessed and should be useful to protein crystallographers seeking to improve their success in preparing heavy-atom derivatives for the methods of isomorphous replacement and anomalous dispersion. The World Wide Web address of HAD is http://www.icnet.uk/bmm/had." addthis:title="HAD, a Data Bank of Heavy-Atom Binding Sites in Protein Crystals: a Resource for Use in Multiple Isomorphous Replacement and Anomalous Scattering" addthis:url="http://dx.doi.org/10.1107/S090744499800715X"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 0px; width: 20px;" onclick="$('#ba0013pr').css('display','none')" /> </a> </div> <div id="ba0013pr" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0013cr').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/citedin?ba0013" title="Statistics"> <img id="ba0013_divwide" alt="" class="art_icon downloads" style="top: 0px; left: -23px; width: 20px;" title="Statistics" src="/logos/buttonlogos/pageviews.png"/> </a> </div> <div style="opacity: 0;" class="popup"> <img class="but_close" src="/logos/buttonlogos/cross.png" /> <div class="" id="ba0013_stats"><span class="popuphd"><a title="Statistics" href="//scripts.iucr.org/cgi-bin/citedin?ba0013">Article statistics</a></span></div> </div> </div>  <div class="bubbleInfo"> <div class="sidebutton"> <a href="//scripts.iucr.org/cgi-bin/biblio_page?ba0013" title="Download citation"> <img alt="" class="art_icon" style="top: 0px; 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The data bank contains coordinate data for the heavy-atom positions in a form that is compatible with the crystallographic data in the Brookhaven Protein Data Bank, together with a wealth of information on the crystallization conditions, the nature of the heavy-atom reagent and references to relevant publications. Some statistical information derived from the data bank, such as the most popular heavy-atom derivatives, is also included. The information can be directly accessed and should be useful to protein crystallographers seeking to improve their success in preparing heavy-atom derivatives for the methods of isomorphous replacement and anomalous dispersion. The World Wide Web address of HAD is http://www.icnet.uk/bmm/had." addthis:title="HAD, a Data Bank of Heavy-Atom Binding Sites in Protein Crystals: a Resource for Use in Multiple Isomorphous Replacement and Anomalous Scattering" addthis:url="http://dx.doi.org/10.1107/S090744499800715X"> <img class="art_icon" src="/logos/buttonlogos/addthis.png" alt="share" style="top: 0px; left: 69px; width: 20px;" onclick="$('#ba0013pl').css('display','none')" /> </a> </div> <div id="ba0013pl" class="popup" style="opacity: 0;"> <span class="popuphd" onclick="$(this).parent().css('display','none');$('#ba0013cl').trigger('click');return false;"><a onclick="return false;" href="">Share</a></span><img class="but_close" alt="close" src="/logos/buttonlogos/cross.png" /> </div> </div> </div> </div> <div class="ica_openaccesslogo" style=""><div class="openaccesslogo"><div class="oalogotext" style="" title="This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.">Open <img alt="Open Access" class="oalogo" src="/logos/open.png" /> access</div></div></div> </div> <div class="clear"></div> </div> <div class="ica_body"> <div class="ica_bodyleft"> <div class="ica_thumbnail"><a href="/d/issues/1998/06/01/ba0013/index.html"><img src="/d/issues/1998/06/01/ba0013/ba0013thumbnail.gif" alt="link to html" /></a></div> </div> <div class="ica_bodyright"> <div class="ica_title"><h3 class="atl"><a href="/d/issues/1998/06/01/ba0013/index.html">HAD, a Data Bank of Heavy-Atom Binding Sites in Protein Crystals: a Resource for Use in Multiple Isomorphous Replacement and Anomalous Scattering</a></h3></div> <div class="ica_authors"><a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Islam%2C%20S%2EA%2E"><span class="au">S. A. Islam</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Carvin%2C%20D%2E"><span class="au">D. Carvin</span></a>, <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Sternberg%2C%20M%2EJ%2EE%2E"><span class="au">M. J. E. Sternberg</span></a> and <a href="//scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Blundell%2C%20T%2EL%2E"><span class="au">T. L. Blundell</span></a></div> <div class="ica_synopsis">The Heavy-Atom Data Bank (HAD) described contains coordinates of heavy-atom sites derived from multiple isomorphous derivatives used in protein crystallography. HAD contains information on crystallization conditions and protein binding sites that will be of value in the preparation of heavy-atom derivatives for use in preparation of isomorphous derivatives in the method of isomorphous replacement.</div><div class="ica_codelinks" style=""> </div> <div class="ica_readmore"> <a href="/d/issues/1998/06/01/ba0013/index.html">Read article</a> </div> </div> </div> </div> <div class="clear"></div></div> </div> <div id="side"><div class="side_box"> <div style="margin-top: 0.2em; margin-bottom: 0.5em; width: 100%; border: 1px solid #2a86c2; padding-bottom: 1em;max-width: 300px; min-width: 75px; "> <a target="_blank" href="/services/kudos.html" title="Kudos"><img style="margin-bottom: 0.5em; width: 100%; max-width: 300px; min-width: 75px;" src="/logos/kudos_250_x_250.gif" alt="Kudos" /></a> <div class="clear"></div><a target="_blank" href="/services/kudos.html" title="Kudos"><span style="color: #2a86c2; font-weight: 600; padding-left: 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