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.
Citation Style Language JSON Export
{
"publisher": "Zenodo",
"DOI": "10.5281/zenodo.6974665",
"author": [
{
"family": "Correy, Galen J."
},
{
"family": "Fraser, James S."
}
],
"issued": {
"date-parts": [
[
2022,
6,
27
]
]
},
"abstract": "<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>",
"title": "PanDDA files from a ligand screen against the NSP3 macrodomain of SARS-CoV-2 - ligands from fragment merging/linking and virtual screening",
"type": "dataset",
"id": "6974665"
}
151
33
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downloads
| All versions | This version | |
|---|---|---|
| Views | 151 | 28 |
| Downloads | 33 | 5 |
| Data volume | 173.2 GB | 11.6 GB |
| Unique views | 127 | 24 |
| Unique downloads | 29 | 5 |
Indexed in
- Publication date:
- June 27, 2022
- DOI:
-
- Keyword(s):
- SARS-CoV-2, macrodomain, NSP3, virtual screening, docking, X-ray crystallography
- License (for files):
- Creative Commons Attribution 4.0 International