Dataset Open Access
Correy, Galen J.;
Fraser, James S.
{ "description": "<p>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).</p>\n\n<p>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. </p>\n\n<p>mac1_ligand-bound_states.zip contains the ligand-bound states extracted from the multi-state PDB files. </p>", "license": "https://creativecommons.org/licenses/by/4.0/legalcode", "creator": [ { "affiliation": "University of California, San Francisco", "@id": "https://orcid.org/0000-0001-5155-7325", "@type": "Person", "name": "Correy, Galen J." }, { "affiliation": "University of California, San Francisco", "@id": "https://orcid.org/0000-0002-5080-2859", "@type": "Person", "name": "Fraser, James S." } ], "url": "https://zenodo.org/record/6974665", "datePublished": "2022-06-27", "keywords": [ "SARS-CoV-2, macrodomain, NSP3, virtual screening, docking, X-ray crystallography" ], "@context": "https://schema.org/", "distribution": [ { "contentUrl": "https://www.zenodo.org/api/files/444dfda7-c803-4e7a-9805-5e04386b392c/mac1_ligand-bound_states.zip", "encodingFormat": "zip", "@type": "DataDownload" }, { "contentUrl": "https://www.zenodo.org/api/files/444dfda7-c803-4e7a-9805-5e04386b392c/mac1_pandda.zip", "encodingFormat": "zip", "@type": "DataDownload" }, { "contentUrl": "https://www.zenodo.org/api/files/444dfda7-c803-4e7a-9805-5e04386b392c/README", "encodingFormat": "", "@type": "DataDownload" } ], "identifier": "https://doi.org/10.5281/zenodo.6974665", "@id": "https://doi.org/10.5281/zenodo.6974665", "@type": "Dataset", "name": "PanDDA files from a ligand screen against the NSP3 macrodomain of SARS-CoV-2 - ligands from fragment merging/linking and virtual screening" }
All versions | This version | |
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Views | 190 | 36 |
Downloads | 42 | 6 |
Data volume | 219.4 GB | 11.6 GB |
Unique views | 159 | 32 |
Unique downloads | 37 | 6 |