9AUL
Structure of SARS-CoV-2 Mpro mutant (A173V,T304I)) in complex with Nirmatrelvir (PF-07321332)
Summary for 9AUL
Entry DOI | 10.2210/pdb9aul/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 | protease, sars-cov, viral protein, 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 | 34367.19 |
Authors | Gajiwala, K.S.,Greasley, S.E.,Ferre, R.A.,Liu, W.,Stewart, A.E. (deposition date: 2024-02-29, release date: 2024-08-07) |
Primary citation | Zhu, Y.,Yurgelonis, I.,Noell, S.,Yang, Q.,Guan, S.,Li, Z.,Hao, L.,Rothan, H.,Rai, D.K.,McMonagle, P.,Baniecki, M.L.,Greasley, S.E.,Plotnikova, O.,Lee, J.,Nicki, J.A.,Ferre, R.,Byrnes, L.J.,Liu, W.,Craig, T.K.,Steppan, C.M.,Liberator, P.,Soares, H.D.,Allerton, C.M.N.,Anderson, A.S.,Cardin, R.D. In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance. Sci Adv, 10:eadl4013-eadl4013, 2024 Cited by PubMed: 39047088DOI: 10.1126/sciadv.adl4013 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.421 Å) |
Structure validation
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