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Structure of SARS-CoV-2 Mpro Omicron P132H in complex with Nirmatrelvir (PF-07321332)

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Protein Data Bank Japan2024-11-06 更新2026-03-21 收录
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Structure of SARS-CoV-2 Mpro Omicron P132H in complex with Nirmatrelvir (PF-07321332) Descriptor: (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, 3C-like proteinase nsp5 Authors: Greasley, S.E, Ferre, R.A, Plotnikova, O, Liu, W, Stewart, A.E. Deposit date: 2022-01-18 Release date: 2022-01-26 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants. J.Biol.Chem., 298, 2022

SARS-CoV-2主蛋白酶(Mpro)奥密克戎变异株P132H突变体与奈玛特韦(Nirmatrelvir,PF-07321332)的复合物结构 配体分子结构式:(1R,2S,5S)-N-{(1E,2S)-1-亚氨基-3-[(3S)-2-氧代吡咯烷-3-基]丙-2-基}-6,6-二甲基-3-[3-甲基-N-(三氟乙酰基)-L-缬氨酰]-3-氮杂双环[3.1.0]己烷-2-甲酰胺;靶蛋白为3C样蛋白酶(3C-like proteinase)nsp5 作者:Greasley, S.E.、Ferre, R.A.、Plotnikova, O.、Liu, W.、Stewart, A.E. 提交日期:2022-01-18 发布日期:2022-01-26 最后修改日期:2024-11-06 实验方法:X射线衍射(X-RAY DIFFRACTION),分辨率1.63埃(Å) 引用文献:《SARS-CoV-2变异株奈玛特韦体外效力的结构基础》(Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants),《生物化学杂志(J. Biol. Chem.)》,2022年,第298卷
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2022-01-18
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