6W81

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

Summary for 6W81

• Entry DOI: 10.2210/pdb6w81/pdb
• Related: 5HYO 6W63 6W79
• Descriptor: Peptidase C30, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide, MALONIC ACID, ... (4 entities in total)
• Functional Keywords: covid-19, porcine epidemic diarrhea virus, pedv, main protease, 3c-like protease, 3cl protease, 3clpro, mpro, broad-spectrum, inhibitor, proteinase, non-covalent, reversible, structural genomics, center for structural genomics of infectious diseases, csgid, antiviral protein, viral protein, viral protein-inhibitor complex, viral protein/inhibitor
• Biological source: Porcine epidemic diarrhea virus
• Total number of polymer chains: 2
• Total formula weight: 66663.47

Authors

Mesecar, A.D.,Center for Structural Genomics of Infectious Diseases (CSGID) (deposition date: 2020-03-20, release date: 2021-03-24, 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 (1.55 Å)