Project milestone Open Access

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

James S Fraser


DataCite XML Export

<?xml version='1.0' encoding='utf-8'?>
<resource xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://datacite.org/schema/kernel-4" xsi:schemaLocation="http://datacite.org/schema/kernel-4 http://schema.datacite.org/meta/kernel-4.1/metadata.xsd">
  <identifier identifierType="DOI">10.5281/zenodo.4716363</identifier>
  <creators>
    <creator>
      <creatorName>James S Fraser</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-5080-2859</nameIdentifier>
      <affiliation>UCSF/QCRG</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Identifying new ligands for the SARS-CoV-2 Macrodomain by Fragment Screening and Multi-temperature Crystallography</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2021</publicationYear>
  <subjects>
    <subject>coronavirus</subject>
    <subject>macrodomain</subject>
    <subject>fragment screening</subject>
    <subject>X-ray crystallography</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2021-04-23</date>
  </dates>
  <language>en</language>
  <resourceType resourceTypeGeneral="Text">Project milestone</resourceType>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/4716363</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsDerivedFrom">https://fraserlab.com/macrodomain/</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsDerivedFrom">https://github.com/fraser-lab/fraser-lab.github.io/tree/master/macrodomain</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.3932379</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://zenodo.org/communities/covid-19</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://zenodo.org/communities/zenodo</relatedIdentifier>
  </relatedIdentifiers>
  <version>2.0</version>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&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;</description>
  </descriptions>
</resource>
1,439
246
views
downloads
All versions This version
Views 1,439557
Downloads 24633
Data volume 42.1 GB7.6 GB
Unique views 1,287481
Unique downloads 9927

Share

Cite as