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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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  <dc:contributor>QBI Coronavirus Research Group Structural Biology Consortium</dc:contributor>
  <dc:creator>James S Fraser</dc:creator>
  <dc:date>2021-04-23</dc:date>
  <dc:description>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’s lab and X-Chem, did something similar and found even more fragment starting points. We are releasing the data together!

This record (see README file) has the data available here: https://fraserlab.com/macrodomain/ and published here: https://pubmed.ncbi.nlm.nih.gov/33853786/ </dc:description>
  <dc:identifier>https://zenodo.org/record/4716363</dc:identifier>
  <dc:identifier>10.5281/zenodo.4716363</dc:identifier>
  <dc:identifier>oai:zenodo.org:4716363</dc:identifier>
  <dc:language>eng</dc:language>
  <dc:relation>url:https://fraserlab.com/macrodomain/</dc:relation>
  <dc:relation>url:https://github.com/fraser-lab/fraser-lab.github.io/tree/master/macrodomain</dc:relation>
  <dc:relation>doi:10.5281/zenodo.3932379</dc:relation>
  <dc:relation>url:https://zenodo.org/communities/covid-19</dc:relation>
  <dc:relation>url:https://zenodo.org/communities/zenodo</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
  <dc:subject>coronavirus</dc:subject>
  <dc:subject>macrodomain</dc:subject>
  <dc:subject>fragment screening</dc:subject>
  <dc:subject>X-ray crystallography</dc:subject>
  <dc:title>Identifying new ligands for the SARS-CoV-2 Macrodomain by Fragment Screening and Multi-temperature Crystallography</dc:title>
  <dc:type>info:eu-repo/semantics/report</dc:type>
  <dc:type>publication-milestone</dc:type>
</oai_dc:dc>
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