7M91

CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 25

Summary for 7M91

• Entry DOI: 10.2210/pdb7m91/pdb
• Descriptor: 3C-like proteinase, 5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione (3 entities in total)
• Functional Keywords: viral protein, hydrolase
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• Total number of polymer chains: 1
• Total formula weight: 34330.39

Authors

Deshmukh, M.G.,Ippolito, J.A.,Zhang, C.H.,Jorgensen, W.L.,Anderson, K.S. (deposition date: 2021-03-30, release date: 2021-06-30, Last modification date: 2023-10-18)

• Primary citation: Deshmukh, M.G.,Ippolito, J.A.,Zhang, C.H.,Stone, E.A.,Reilly, R.A.,Miller, S.J.,Jorgensen, W.L.,Anderson, K.S.; Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease.; Structure, 29:823-, 2021; PubMed: 34161756; DOI: 10.1016/j.str.2021.06.002

Experimental method

X-RAY DIFFRACTION (1.95 Å)