タイトル | Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals. |
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ジャーナル・号・ページ | Structure, Vol. 28, Page 1313-, Year 2020 |
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掲載日 | 2020年6月8日 (構造データの登録日) |
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著者 | Kneller, D.W. / Galanie, S. / Phillips, G. / O'Neill, H.M. / Coates, L. / Kovalevsky, A. |
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リンク | Structure / PubMed:33152262 |
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手法 | X線回折 |
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解像度 | 1.9 - 2.3 Å |
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構造データ | PDB-6xch: Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Leupeptin 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-6xqs: Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Telaprevir 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6xqt: Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Narlaprevir 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-6xqu: Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Boceprevir 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å |
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化合物 | ChemComp-SV6: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide / 抗ウイルス剤, プロテアーゼ阻害剤*YM
ChemComp-NNA: (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide / 薬剤, 抗ウイルス剤, 阻害剤*YM
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由来 | ![](img/tx_virus.gif) severe acute respiratory syndrome coronavirus 2 (ウイルス) streptomyces exfoliatus (バクテリア)
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キーワード | VIRAL PROTEIN / HYDROLASE/INHIBITOR / SARS-CoV-2 Main Protease / HYDROLASE-INHIBITOR complex / VIRAL PROTEIN/HYDROLASE / 3c like proteinase / VIRAL PROTEIN-HYDROLASE complex |
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