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: 38289714DOI: 10.1107/S2059798324000329 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.66 Å) |
Structure validation
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