9AVQ
Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor Nirmatrelvir
Summary for 9AVQ
Entry DOI | 10.2210/pdb9avq/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, DI(HYDROXYETHYL)ETHER, ... (4 entities in total) |
Functional Keywords | sars-cov-2 main protease, 3c-like proteinase, viral protein, sars-cov-2, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2) |
Total number of polymer chains | 1 |
Total formula weight | 34463.23 |
Authors | Bulut, H.,Hattori, S.,Hayashi, H.,Hasegawa, K.,Li, M.,Wlodawer, A.,Tamamura, H.,Mitsuya, H. (deposition date: 2024-03-04, release date: 2024-04-24) |
Primary citation | Hattori, S.,Bulut, H.,Hayashi, H.,Kishimoto, N.,Takamune, N.,Hasegawa, K.,Murayama, K.,Mi, L.,Wlodawer, A.,Tamamura, H.,Misumi, S.,Mitsuya, H. Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors To Be Published, |
Experimental method | X-RAY DIFFRACTION (2.58 Å) |
Structure validation
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