Zenodo.org will be unavailable for 2 hours on September 29th from 06:00-08:00 UTC. See announcement.

Dataset Open Access

PanDDA files from a ligand screen against the NSP3 macrodomain of SARS-CoV-2 - ligands from fragment merging/linking and virtual screening

Correy, Galen J.; Fraser, James S.


Dublin Core Export

<?xml version='1.0' encoding='utf-8'?>
<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Correy, Galen J.</dc:creator>
  <dc:creator>Fraser, James S.</dc:creator>
  <dc:date>2022-06-27</dc:date>
  <dc:description>This deposition contains the X-ray diffraction data used to run PanDDA in the ligand screen against the NSP3 macrodomain of SARS-CoV-2 described in Gahbauer et al. 2022 (doi: https://doi.org/10.1101/2022.06.27.497816).

mac1_pandda.zip contains the structure factor intensities, PanDDA input/ouput and refined models/maps. A description of the files can be found in the README file. 

mac1_ligand-bound_states.zip contains the ligand-bound states extracted from the multi-state PDB files. </dc:description>
  <dc:identifier>https://zenodo.org/record/6974665</dc:identifier>
  <dc:identifier>10.5281/zenodo.6974665</dc:identifier>
  <dc:identifier>oai:zenodo.org:6974665</dc:identifier>
  <dc:relation>doi:10.5281/zenodo.6688238</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>SARS-CoV-2, macrodomain, NSP3, virtual screening, docking, X-ray crystallography</dc:subject>
  <dc:title>PanDDA files from a ligand screen against the NSP3 macrodomain of SARS-CoV-2 - ligands from fragment merging/linking and virtual screening</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>dataset</dc:type>
</oai_dc:dc>
190
42
views
downloads
All versions This version
Views 19036
Downloads 426
Data volume 219.4 GB11.6 GB
Unique views 15932
Unique downloads 376

Share

Cite as