タイトル | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. |
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ジャーナル・号・ページ | Acs Cent. Sci., Vol. 9, Page 1658-1669, Year 2023 |
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掲載日 | 2022年6月17日 (構造データの登録日) |
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著者 | Hu, Y. / Lewandowski, E.M. / Tan, H. / Zhang, X. / Morgan, R.T. / Jacobs, L.M.C. / Butler, S.G. / Gongora, M.V. / Choy, J. / Deng, X. ...Hu, Y. / Lewandowski, E.M. / Tan, H. / Zhang, X. / Morgan, R.T. / Jacobs, L.M.C. / Butler, S.G. / Gongora, M.V. / Choy, J. / Deng, X. / Chen, Y. / Wang, J. |
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リンク | Acs Cent. Sci. / PubMed:37637734 |
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手法 | X線回折 |
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解像度 | 1.89 - 2.87 Å |
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構造データ | PDB-8dcz: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) M165Y Mutant in Complex with Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 2.38 Å PDB-8dd1: SARS-CoV-2 Main Protease (Mpro) H164N Mutant in Complex with Inhibitor GC376 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å PDB-8dd9: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant in Complex with Inhibitor GC376 手法: X-RAY DIFFRACTION / 解像度: 2.04 Å PDB-8dfe: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144L Mutant 手法: X-RAY DIFFRACTION / 解像度: 1.89 Å PDB-8dfn: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H164N Mutant 手法: X-RAY DIFFRACTION / 解像度: 2.04 Å PDB-8dgb: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Q192T Mutant in Complex with Inhibitor GC376 手法: X-RAY DIFFRACTION / 解像度: 2.87 Å |
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化合物 | ChemComp-4WI: (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 / 薬剤, 抗ウイルス剤, プロテアーゼ阻害剤*YM
ChemComp-K36: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid / 薬剤, 抗ウイルス剤*YM
ChemComp-B1S: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
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由来 | - severe acute respiratory syndrome coronavirus 2 (ウイルス)
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キーワード | VIRAL PROTEIN / Protease / SARS-CoV-2 / Mpro / Mutation |
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