9BPF

Crystal structure of main protease of SARS-CoV-2 complexed with inhibitor

Summary for 9BPF

• Entry DOI: 10.2210/pdb9bpf/pdb
• Related: 6WTM
• Descriptor: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide (3 entities in total)
• Functional Keywords: sars-cov-2, main protease, inhibitor, inhibitory activity, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 68634.10

Authors

Chen, P.,Arutyunova, E.,Lemieux, M.J. (deposition date: 2024-05-07, release date: 2024-08-07, Last modification date: 2024-09-11)

• Primary citation: Chen, P.,Van Oers, T.J.,Arutyunova, E.,Fischer, C.,Wang, C.,Lamer, T.,van Belkum, M.J.,Young, H.S.,Vederas, J.C.,Lemieux, M.J.; A Structural Comparison of Oral SARS-CoV-2 Drug Candidate Ibuzatrelvir Complexed with the Main Protease (M pro ) of SARS-CoV-2 and MERS-CoV.; Jacs Au, 4:3217-3227, 2024; PubMed: 39211604; DOI: 10.1021/jacsau.4c00508

Experimental method

X-RAY DIFFRACTION (2 Å)