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: 2024-09-18) |
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 Cited by PubMed: 39211604DOI: 10.1021/jacsau.4c00508 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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