9AUK

Structure of SARS-CoV-2 Mpro mutant (A173V) in complex with Nirmatrelvir (PF-07321332)

9AUK の概要

• エントリーDOI: 10.2210/pdb9auk/pdb
• 分子名称: 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)
• 機能のキーワード: protease, sars-cov, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 68710.28

構造登録者

Gajiwala, K.S.,Greasley, S.E.,Ferre, R.A.,Liu, W.,Stewart, A.E. (登録日: 2024-02-29, 公開日: 2024-08-07)

• 主引用文献: 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; PubMed: 39047088; DOI: 10.1126/sciadv.adl4013

実験手法

X-RAY DIFFRACTION (1.88 Å)