タイトル | Why is the Omicron main protease of SARS-CoV-2 less stable than its wild-type counterpart? A crystallographic, biophysical, and theoretical study |
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ジャーナル・号・ページ | Hlife, Vol. 2, Page 419-433, Year 2024 |
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掲載日 | 2023年11月1日 (構造データの登録日) |
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著者 | Ibrahim, M. / Sun, X. / Martins de Oliveira, V. / Liu, R. / Clayton, J. / El Kilani, H. / Shen, J. / Hilgenfeld, R. |
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リンク | Hlife / PubMedで検索 |
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手法 | X線回折 |
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解像度 | 1.7 - 2.48 Å |
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構造データ | PDB-8r0v: SARS-CoV-2 Mpro (Omicron, P132H) in complex with alpha-ketoamide 13b-K at pH 6.5 手法: X-RAY DIFFRACTION / 解像度: 2.48 Å PDB-8r19: SARS-CoV-2 Mpro (Omicron, P132H) free enzyme 手法: X-RAY DIFFRACTION / 解像度: 1.91 Å PDB-8r1q: SARS-CoV-2 Mpro (Omicron, P132H+T169S) in complex with alpha-ketoamide 13b-K 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-8r24: SARS-CoV-2 Mpro (Omicron, P132H+T169S) free enzyme 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-8r26: SARS-CoV-2 Mpro (Omicron,P132H) in complex with alpha-ketoamide 13b-K at pH 8.5 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å |
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化合物 | ChemComp-O6K: ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
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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 / SARS-CoV-2; main protease; Omicron; Molecular Dynamics; Pro>His mutant; double mutant |
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