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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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{
  "inLanguage": {
    "alternateName": "eng", 
    "@type": "Language", 
    "name": "English"
  }, 
  "description": "<p>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&rsquo;s lab and X-Chem,&nbsp;<a href=\"https://www.diamond.ac.uk/covid-19/for-scientists/SARS-CoV-2-macrodomain.html\">did something similar</a>&nbsp;and found even more fragment starting points. We are releasing&nbsp;<a href=\"https://fragalysis.diamond.ac.uk/viewer/react/preview/target/mArh\">the data together</a>!</p>\n\n<p>This record (see README file) has the data available here:&nbsp;<a href=\"https://fraserlab.com/macrodomain/\">https://fraserlab.com/macrodomain/</a>&nbsp;and published here:&nbsp;https://pubmed.ncbi.nlm.nih.gov/33853786/&nbsp;</p>", 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "creator": [
    {
      "affiliation": "UCSF/QCRG", 
      "@id": "https://orcid.org/0000-0002-5080-2859", 
      "@type": "Person", 
      "name": "James S Fraser"
    }
  ], 
  "url": "https://zenodo.org/record/4716363", 
  "datePublished": "2021-04-23", 
  "keywords": [
    "coronavirus", 
    "macrodomain", 
    "fragment screening", 
    "X-ray crystallography"
  ], 
  "version": "2.0", 
  "contributor": [
    {
      "affiliation": "UCSF", 
      "@type": "Person", 
      "name": "QBI Coronavirus Research Group Structural Biology Consortium"
    }
  ], 
  "@context": "https://schema.org/", 
  "identifier": "https://doi.org/10.5281/zenodo.4716363", 
  "@id": "https://doi.org/10.5281/zenodo.4716363", 
  "@type": "CreativeWork", 
  "name": "Identifying new ligands for the SARS-CoV-2 Macrodomain by Fragment Screening and Multi-temperature Crystallography"
}
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