EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
ジャーナル・号・ページ	Nature, Vol. 622, Page 376-382, Year 2023
掲載日	2022年10月8日 (構造データの登録日)
著者	Duan, Y. / Zhou, H. / Liu, X. / Iketani, S. / Lin, M. / Zhang, X. / Bian, Q. / Wang, H. / Sun, H. / Hong, S.J. ...Duan, Y. / Zhou, H. / Liu, X. / Iketani, S. / Lin, M. / Zhang, X. / Bian, Q. / Wang, H. / Sun, H. / Hong, S.J. / Culbertson, B. / Mohri, H. / Luck, M.I. / Zhu, Y. / Lu, Y. / Yang, X. / Yang, K. / Sabo, Y. / Chavez, A. / Goff, S.P. / Rao, Z. / Ho, D.D. / Yang, H.
リンク	Nature / PubMed:37696289
手法	X線回折
解像度	1.45 - 2.3 Å
構造データ	PDB-8h3g: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166V Mutant in Complex with Inhibitor Enstrelvir 手法: X-RAY DIFFRACTION / 解像度: 1.46 Å PDB-8h3k: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-8h3l: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-8h4y: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) F140L Mutant in Complex with Inhibitor Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-8h51: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 2.18 Å PDB-8h57: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) A193P Mutant in Complex with Inhibitor Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-8h5f: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) L167F Mutant in Complex with Inhibitor Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-8h5p: Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 1.67 Å PDB-8h6i: The crystal structure of SARS-CoV-2 3C-like protease Double Mutant (L50F and E166V) in complex with a traditional Chinese Medicine Inhibitors 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-8h6n: Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (T21I) in complex with protease inhibitor Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-8h7k: SARS-CoV-2 Mpro Double Mutant (H41A and T21I) in complex with nsp4/5 peptidyl substrate 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-8h7w: Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (S144A) in complex with protease inhibitor Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-8h82: Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (E166V) in complex with protease inhibitor Nirmatrelvir 手法: X-RAY DIFFRACTION / 解像度: 1.93 Å PDB-8hbk: The crystal structure of SARS-CoV-2 3CL protease in complex with Ensitrelvir 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å
化合物	ChemComp-7YY: 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione / 薬剤, 抗ウイルス剤, プロテアーゼ阻害剤YM / エンシトレルビル ChemComp-GOL: GLYCEROL / グリセロ-ル / グリセリン ChemComp-HOH: WATER / 水 ChemComp-VIB: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM / 3-(2-メチル-4-アミノピリミジン-5-イルメチル)-4-メチル-5-(2-ヒドロキシエチル)チアゾ-ル-3-イウム / 薬剤YM / チアミン 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 / ニルマトレルビル ChemComp-ODN: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one ChemComp-LQZ*: 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide / リドカイン / リドカイン
由来	severe acute respiratory syndrome coronavirus 2 (SARSコロナウイルス2)
キーワード	VIRAL PROTEIN (ウイルスタンパク質) / SARS-CoV-2 (SARSコロナウイルス2) / Mutant (ミュータント (人類)) / COVID-19 (新型コロナウイルス感染症 (2019年)) / Protease (プロテアーゼ)