タイトル | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope |
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ジャーナル・号・ページ | To Be Published |
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掲載日 | 2018年5月23日 (構造データの登録日) |
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著者 | Matthew, A.N. / Schiffer, C.A. |
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リンク | PubMedで検索 |
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手法 | X線回折 |
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解像度 | 1.579 - 1.921 Å |
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構造データ | PDB-6diq: Crystal structure of HCV NS3/4A protease in complex with P4-P5-1 (WK-23) 手法: X-RAY DIFFRACTION / 解像度: 1.579 Å PDB-6dir: Crystal structure of HCV NS3/4A protease in complex with P4-P5-2 (AJ-67) 手法: X-RAY DIFFRACTION / 解像度: 1.751 Å PDB-6dis: Crystal structure of HCV NS3/4A protease in complex with P4-1 (AJ-71) 手法: X-RAY DIFFRACTION / 解像度: 1.921 Å PDB-6dit: Crystal structure of HCV NS3/4A protease in complex with P4-2 (JZ01-19) 手法: X-RAY DIFFRACTION / 解像度: 1.789 Å PDB-6diu: Crystal structure of HCV NS3/4A protease in complex with P4-3(AJ-74) 手法: X-RAY DIFFRACTION / 解像度: 1.868 Å PDB-6div: Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-2 (AJ-67) 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-6diw: Crystal structure of HCV NS3/4A D168A protease in complex with P4-1 (AJ-71) 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å |
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化合物 | ChemComp-GK7: methyl [(2S)-1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate
ChemComp-GKA: (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl
ChemComp-GKM: 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
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由来 | - hepacivirus c (ウイルス)
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キーワード | HYDROLASE/HYDROLASE Inhibitor / NS3/4a Protease / Hepatitis C virus / Drug Resistance / Protease inhibitor / HYDROLASE-HYDROLASE Inhibitor complex / HYDROLASE |
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