Dataset Open Access

Raw diffraction data for structure of SARS-CoV-2 main protease with Z45617795 (ID: mpro-x0072 / PDB: 5R7Y)

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

<?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.3730327</identifier>
  <creators>
    <creator>
      <creatorName>Aragao, David</creatorName>
      <givenName>David</givenName>
      <familyName>Aragao</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Brandao-Neto, Jose</creatorName>
      <givenName>Jose</givenName>
      <familyName>Brandao-Neto</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Carbery, Anna</creatorName>
      <givenName>Anna</givenName>
      <familyName>Carbery</familyName>
      <affiliation>SGC-Oxford</affiliation>
    </creator>
    <creator>
      <creatorName>Crawshaw, Adam</creatorName>
      <givenName>Adam</givenName>
      <familyName>Crawshaw</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Dias, Alexandre</creatorName>
      <givenName>Alexandre</givenName>
      <familyName>Dias</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Douangamath, Alice</creatorName>
      <givenName>Alice</givenName>
      <familyName>Douangamath</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Dunnett, Louise</creatorName>
      <givenName>Louise</givenName>
      <familyName>Dunnett</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Fearon, Daren</creatorName>
      <givenName>Daren</givenName>
      <familyName>Fearon</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Flaig, Ralf</creatorName>
      <givenName>Ralf</givenName>
      <familyName>Flaig</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Gehrtz, Paul</creatorName>
      <givenName>Paul</givenName>
      <familyName>Gehrtz</familyName>
      <affiliation>Weizmann Institute, Israel</affiliation>
    </creator>
    <creator>
      <creatorName>Hall, Dave</creatorName>
      <givenName>Dave</givenName>
      <familyName>Hall</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Krojer, Tobias</creatorName>
      <givenName>Tobias</givenName>
      <familyName>Krojer</familyName>
      <affiliation>SGC-Oxford</affiliation>
    </creator>
    <creator>
      <creatorName>London, Nir</creatorName>
      <givenName>Nir</givenName>
      <familyName>London</familyName>
      <affiliation>Weizmann Institute, Israel</affiliation>
    </creator>
    <creator>
      <creatorName>Lukacik, Petra</creatorName>
      <givenName>Petra</givenName>
      <familyName>Lukacik</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Mazzorana, Marco</creatorName>
      <givenName>Marco</givenName>
      <familyName>Mazzorana</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>McAuley, Katherine</creatorName>
      <givenName>Katherine</givenName>
      <familyName>McAuley</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Owen, David</creatorName>
      <givenName>David</givenName>
      <familyName>Owen</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Powell, Ailsa</creatorName>
      <givenName>Ailsa</givenName>
      <familyName>Powell</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Reddi, Rambabu</creatorName>
      <givenName>Rambabu</givenName>
      <familyName>Reddi</familyName>
      <affiliation>Weizmann Institute, Israel</affiliation>
    </creator>
    <creator>
      <creatorName>Resnick, Efrat</creatorName>
      <givenName>Efrat</givenName>
      <familyName>Resnick</familyName>
      <affiliation>Weizmann Institute, Israel</affiliation>
    </creator>
    <creator>
      <creatorName>Skyner, Rachael</creatorName>
      <givenName>Rachael</givenName>
      <familyName>Skyner</familyName>
      <affiliation>SGC-Oxford</affiliation>
    </creator>
    <creator>
      <creatorName>Snee, Matt</creatorName>
      <givenName>Matt</givenName>
      <familyName>Snee</familyName>
      <affiliation>Diamond Light Source / University of Manchester</affiliation>
    </creator>
    <creator>
      <creatorName>Strain-Damerell, Claire</creatorName>
      <givenName>Claire</givenName>
      <familyName>Strain-Damerell</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Stuart, Dave</creatorName>
      <givenName>Dave</givenName>
      <familyName>Stuart</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>von Delft, Frank</creatorName>
      <givenName>Frank</givenName>
      <familyName>von Delft</familyName>
      <affiliation>SGC-Oxford / Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Walsh, Martin</creatorName>
      <givenName>Martin</givenName>
      <familyName>Walsh</familyName>
      <affiliation>Diamond Light Source</affiliation>
    </creator>
    <creator>
      <creatorName>Wild, Conor</creatorName>
      <givenName>Conor</givenName>
      <familyName>Wild</familyName>
      <affiliation>SGC-Oxford</affiliation>
    </creator>
    <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 Z45617795 (ID: mpro-x0072 / PDB: 5R7Y)</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:5R7Y</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/3730327</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.3730326</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-x0072 / PDB ID 5R7Y (see: https://www.ebi.ac.uk/pdbe/entry/pdb/5R7Y) - SARS-CoV-2 main protease in complex with Z45617795 (SMILES:CS(=O)(=O)NCCC=1C=CC=CC1) 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>
</resource>
523
16
views
downloads
All versions This version
Views 523523
Downloads 1616
Data volume 10.5 GB10.5 GB
Unique views 452452
Unique downloads 1414
More info on how stats are collected.
Indexed in
Publication date:
March 30, 2020
DOI:
10.5281/zenodo.3730327

Zenodo DOI Badge

DOI 

10.5281/zenodo.3730327

Markdown 

[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.3730327.svg)](https://doi.org/10.5281/zenodo.3730327)

reStructedText 

.. image:: https://zenodo.org/badge/DOI/10.5281/zenodo.3730327.svg
   :target: https://doi.org/10.5281/zenodo.3730327

HTML 

<a href="https://doi.org/10.5281/zenodo.3730327"><img src="https://zenodo.org/badge/DOI/10.5281/zenodo.3730327.svg" alt="DOI"></a>

Image URL 

https://zenodo.org/badge/DOI/10.5281/zenodo.3730327.svg

Target URL 

https://doi.org/10.5281/zenodo.3730327

Keyword(s):
COVID-19 SARS-CoV-2 main protease automated upload PDB:5R7Y Diamond Light Source / MX / XChem
Communities:
License (for files):
Creative Commons Zero v1.0 Universal

Versions

Version 1 10.5281/zenodo.3730327 Mar 30, 2020
Cite all versions? You can cite all versions by using the DOI 10.5281/zenodo.3730326. This DOI represents all versions, and will always resolve to the latest one. Read more.

Share

Cite as

Export