Dataset Open Access

Raw diffraction data for structure of SARS-CoV-2 main protease with Z2217052426 (ID: mpro-x0464 / PDB: 5REE)

Aragao, David; Brandao-Neto, Jose; Carbery, Anna; Crawshaw, Adam; Dias, Alexandre; Douangamath, Alice; Dunnett, Louise; Fearon, Daren; Flaig, Ralf; Gehrtz, Paul; Hall, Dave; Krojer, Tobias; London, Nir; Lukacik, Petra; Mazzorana, Marco; McAuley, Katherine; Owen, David; Powell, Ailsa; Reddi, Rambabu; Resnick, Efrat; Skyner, Rachael; Snee, Matt; Strain-Damerell, Claire; Stuart, Dave; von Delft, Frank; Walsh, Martin; Wild, Conor; Williams, Mark; Winter, Graeme


DataCite XML Export

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      <creatorName>Dias, Alexandre</creatorName>
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      <creatorName>Douangamath, Alice</creatorName>
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      <creatorName>Dunnett, Louise</creatorName>
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      <creatorName>Fearon, Daren</creatorName>
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      <creatorName>Flaig, Ralf</creatorName>
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      <creatorName>Gehrtz, Paul</creatorName>
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      <creatorName>Krojer, Tobias</creatorName>
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      <creatorName>Powell, Ailsa</creatorName>
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      <creatorName>Reddi, Rambabu</creatorName>
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      <affiliation>Weizmann Institute, Israel</affiliation>
    </creator>
    <creator>
      <creatorName>Resnick, Efrat</creatorName>
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    <creator>
      <creatorName>Snee, Matt</creatorName>
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      <familyName>Snee</familyName>
      <affiliation>Diamond Light Source / University of Manchester</affiliation>
    </creator>
    <creator>
      <creatorName>Strain-Damerell, Claire</creatorName>
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      <creatorName>Stuart, Dave</creatorName>
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      <creatorName>von Delft, Frank</creatorName>
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      <creatorName>Wild, Conor</creatorName>
      <givenName>Conor</givenName>
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    <creator>
      <creatorName>Williams, Mark</creatorName>
      <givenName>Mark</givenName>
      <familyName>Williams</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Winter, Graeme</creatorName>
      <givenName>Graeme</givenName>
      <familyName>Winter</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Raw diffraction data for structure of SARS-CoV-2 main protease with Z2217052426 (ID: mpro-x0464 / PDB: 5REE)</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2020</publicationYear>
  <subjects>
    <subject>COVID-19</subject>
    <subject>SARS-CoV-2 main protease</subject>
    <subject>automated upload</subject>
    <subject>PDB:5REE</subject>
    <subject>Diamond Light Source / MX / XChem</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2020-03-30</date>
  </dates>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/3730629</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.3730628</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://zenodo.org/communities/covid-19</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://zenodo.org/communities/mx</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/publicdomain/zero/1.0/legalcode">Creative Commons Zero v1.0 Universal</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">Raw diffraction data for mpro-x0464 / PDB ID 5REE (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5REE) - SARS-CoV-2 main protease in complex with Z2217052426 (SMILES:CC1C(O)CCCN1CC=2C=CC=CC2) collected as part of an XChem crystallographic fragment screening campaign on beamline i04-1 at Diamond Light Source. The deposited structure was automatically processed with standard Diamond tools and PanDDA, however the raw data are being made available to allow reanalysis by any interested party. 

For more details see: https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html</description>
  </descriptions>
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