9BO7

Crystal Structure of L50F SARS-CoV-2 Main Protease in Complex with Nirmatrelvir

Summary for 9BO7

• Entry DOI: 10.2210/pdb9bo7/pdb
• Descriptor: 3C-like proteinase nsp5, (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (3 entities in total)
• Functional Keywords: hydrolase, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 1
• Total formula weight: 34361.10

Authors

Papini, C.,Kenneson, J.,Anderson, K.S. (deposition date: 2024-05-03, release date: 2025-02-12)

• Primary citation: Kenneson, J.R.,Papini, C.,Tang, S.,Huynh, K.,Zhang, C.H.,Jorgensen, W.L.,Anderson, K.S.; Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (Mpro) with Noncovalent Preclinical Candidate, Mpro61; Acs Bio Med Chem Au, 2025; DOI: 10.1021/acsbiomedchemau.4c00109

Experimental method

X-RAY DIFFRACTION (1.54 Å)