6W79

Structure of SARS-CoV main protease bound to potent broad-spectrum non-covalent inhibitor X77

Summary for 6W79

• Entry DOI: 10.2210/pdb6w79/pdb
• Descriptor: Main protease, DIMETHYL SULFOXIDE, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide, ... (5 entities in total)
• Functional Keywords: main protease, mpro, 3c-like, 3clpro, non-covalent, inhibitor, sars, sars-cov, covid-19, x77, broad-spectrum, coronavirus, drug, structural genomics, center for structural genomics of infectious diseases, csgid, viral protein, viral protein-inhibitor complex, viral protein/inhibitor
• Biological source: SARS-COV-2
• Total number of polymer chains: 1
• Total formula weight: 34804.83

Authors

Mesecar, A.D.,StJohn, S.,Center for Structural Genomics of Infectious Diseases (CSGID) (deposition date: 2020-03-18, release date: 2020-08-26, Last modification date: 2023-10-18)

• Primary citation: Mesecar, A.D.; A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19); To Be Published,

Experimental method

X-RAY DIFFRACTION (1.46 Å)