タイトル | Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences |
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ジャーナル・号・ページ | To Be Published |
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掲載日 | 2019年6月4日 (構造データの登録日) |
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著者 | Timm, J. / Kosovrasti, K. / Henes, M. / Leidner, F. / Hou, S. / Kurt-Yilmaz, 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 | 1.749 - 3.5 Å |
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構造データ | PDB-6p6q: HCV NS3/4A protease domain of genotype 1a3a chimera in complex with grazoprevir 手法: X-RAY DIFFRACTION / 解像度: 3.5 Å PDB-6p6r: HCV NS3/4A protease domain of genotype 1a3a chimera in complex with glecaprevir 手法: X-RAY DIFFRACTION / 解像度: 1.749 Å PDB-6p6s: HCV NS3/4A protease domain of genotype 3a in complex with glecaprevir 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-6p6t: HCV NS3/4A protease domain of genotype 4a in complex with glecaprevir 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-6p6v: HCV NS3/4A protease domain of genotype 5a in complex with glecaprevir 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-6p6z: HCV NS3/4A protease domain of genotype 4a with an extended linker in complex with glecaprevir 手法: X-RAY DIFFRACTION / 解像度: 2.294 Å |
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化合物 | ChemComp-SUE: (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di / グラゾプレビル / プロテアーゼ阻害剤*YM
ChemComp-O31: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop / グレカプレビル / プロテアーゼ阻害剤*YM
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由来 | hepatitis c virus genotype 1a (isolate 1) (C型肝炎ウイルス) hepatitis c virus genotype 3a (isolate nzl1) (C型肝炎ウイルス) hepatitis c virus genotype 4a (isolate ed43) (C型肝炎ウイルス) hepatitis c virus genotype 5a (isolate sa13) (C型肝炎ウイルス)
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キーワード | VIRAL PROTEIN / Hydrolase / HCV NS3/4A protease HCV protease domain Grazoprevir / GZR Genotype 1a3a chimera / HCV NS3/4A protease HCV protease domain Glecaprevir / GLE Genotype 1a3a chimera / GLE Genotype 3a / GLE Genotype 4a chimera / GLE Genotype 4a |
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