Published June 27, 2022 | Version v4
Dataset Open

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

  • 1. University of California, San Francisco


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: contains the structure factor intensities, PanDDA input/ouput and refined models/maps. A description of the files can be found in the README file. contains the ligand-bound states extracted from the multi-state PDB files. 


Files (11.6 GB)

Name Size Download all
27.2 MB Preview Download
11.5 GB Preview Download
1.9 kB Download