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Identifying new ligands for the SARS-CoV-2 Macrodomain by Fragment Screening and Multi-temperature Crystallography

James S Fraser


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        <foaf:name>James S Fraser</foaf:name>
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    <dct:title>Identifying new ligands for the SARS-CoV-2 Macrodomain by Fragment Screening and Multi-temperature Crystallography</dct:title>
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    <dcat:keyword>coronavirus</dcat:keyword>
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    <dct:description>&lt;p&gt;Macrodomain is a compelling target for SARS-CoV-2, but there are no inhibitors (or even starting points for inhibitors). The QCRG Structural Biology Consortium performed a crystallographic fragments screen, identifying a few small molecules to kick-start our work to develop an inhibitor. Our friends in the UK, Ivan Ahel&amp;rsquo;s lab and X-Chem,&amp;nbsp;&lt;a href="https://www.diamond.ac.uk/covid-19/for-scientists/SARS-CoV-2-macrodomain.html"&gt;did something similar&lt;/a&gt;&amp;nbsp;and found even more fragment starting points. We are releasing&amp;nbsp;&lt;a href="https://fragalysis.diamond.ac.uk/viewer/react/preview/target/mArh"&gt;the data together&lt;/a&gt;!&lt;/p&gt; &lt;p&gt;This record (see README file) has the data available here:&amp;nbsp;&lt;a href="https://fraserlab.com/macrodomain/"&gt;https://fraserlab.com/macrodomain/&lt;/a&gt;&amp;nbsp;and published here:&amp;nbsp;https://pubmed.ncbi.nlm.nih.gov/33853786/&amp;nbsp;&lt;/p&gt;</dct:description>
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