7GRE

Crystal structure of SARS-CoV-2 main protease in complex with cpd-1

Summary for 7GRE

Entry DOI	10.2210/pdb7gre/pdb
Group deposition	Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket (G_1002282)
Descriptor	3C-like proteinase nsp5, 4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine, DIMETHYL SULFOXIDE, ... (6 entities in total)
Functional Keywords	protease, sars-cov-2, viral protein
Biological source	Severe acute respiratory syndrome coronavirus 2
Total number of polymer chains	2
Total formula weight	68727.02
Authors	Huang, C.-Y.,Metz, A.,Sharpe, M.,Sweeney, A.M. (deposition date: 2023-11-14, release date: 2024-02-14, Last modification date: 2024-03-13)
Primary citation	Huang, C.Y.,Metz, A.,Lange, R.,Artico, N.,Potot, C.,Hazemann, J.,Muller, M.,Dos Santos, M.,Chambovey, A.,Ritz, D.,Eris, D.,Meyer, S.,Bourquin, G.,Sharpe, M.,Mac Sweeney, A. Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80:123-136, 2024 Cited by PubMed: 38289714 DOI: 10.1107/S2059798324000329 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.66 Å)

Structure validation