8H51
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Nirmatrelvir
Summary for 8H51
Entry DOI | 10.2210/pdb8h51/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 | sars-cov-2, mutant, viral protein |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2) |
Total number of polymer chains | 1 |
Total formula weight | 34279.11 |
Authors | |
Primary citation | Duan, Y.,Zhou, H.,Liu, X.,Iketani, S.,Lin, M.,Zhang, X.,Bian, Q.,Wang, H.,Sun, H.,Hong, S.J.,Culbertson, B.,Mohri, H.,Luck, M.I.,Zhu, Y.,Liu, X.,Lu, Y.,Yang, X.,Yang, K.,Sabo, Y.,Chavez, A.,Goff, S.P.,Rao, Z.,Ho, D.D.,Yang, H. Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622:376-382, 2023 Cited by PubMed: 37696289DOI: 10.1038/s41586-023-06609-0 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.18 Å) |
Structure validation
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