Dataset from Zenodo · Fearon, D.
Crystal Structures of SARS-CoV-2 main protease with screening fragments and COVID Moonshot compounds from the XChem facility at Diamond Light Source
- License
- CC BY 4.0commercial use allowedLicense text
- This license allows commercial use. Usually you must credit the author; read the license for the exact terms.
- Formats
- BZ2
- Size
- 1.5 GB
- Updated
- Oct 26, 2023
Description
Bulk repositiory of structures of SARS-CoV-2 main protease in complex with fragment molecules from inital XChem screen and designed COVID Moonshot inhibtor compounds. Each structure has a PDB ID, coordinate file, structure factor file, ligand restraint (cif) and PANDDA event maps (as appropriate). 2023-10-26 - updated to include all initial fragment screening hits alongside follow up compounds
Description from Zenodo, shortened.
Files (1)
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