タイトル | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. |
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ジャーナル・号・ページ | Chem. Biol., Vol. 20, Page 1116-1124, Year 2013 |
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掲載日 | 2010年8月4日 (構造データの登録日) |
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著者 | Nalam, M.N. / Ali, A. / Reddy, G.S. / Cao, H. / Anjum, S.G. / Altman, M.D. / Yilmaz, N.K. / Tidor, B. / Rana, T.M. / Schiffer, C.A. |
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リンク | Chem. Biol. / PubMed:24012370 |
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手法 | X線回折 |
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解像度 | 1.45 - 1.95 Å |
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構造データ | PDB-3o99: Crystal Structure of wild-type HIV-1 Protease in complex with kd13 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-3o9a: Crystal Structure of wild-type HIV-1 Protease in complex with kd14 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-3o9b: Crystal Structure of wild-type HIV-1 Protease in Complex with kd25 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-3o9c: Crystal Structure of wild-type HIV-1 Protease in complex with kd20 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-3o9d: Crystal Structure of wild-type HIV-1 Protease in complex with kd19 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-3o9e: Crystal Structure of wild-type HIV-1 Protease in complex with af60 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-3o9f: Crystal Structure of wild-type HIV-1 Protease in complex with kd27 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3o9g: Crystal Structure of wild-type HIV-1 Protease in complex with af53 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-3o9h: Crystal Structure of wild-type HIV-1 Protease in complex with kd26 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3o9i: Crystal Structure of wild-type HIV-1 Protease in complex with af61 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å |
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化合物 | ChemComp-K13: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate
ChemComp-K14: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate
ChemComp-K2A: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate
ChemComp-K20: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate
ChemComp-K19: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate
ChemComp-A60: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate
ChemComp-K2D: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate
ChemComp-F53: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate
ChemComp-K2E: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate
ChemComp-A61: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate
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由来 | - human immunodeficiency virus 1 (ヒト免疫不全ウイルス)
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キーワード | HYDROLASE/HYDROLASE INHIBITOR / HIV-1 protease / drug resistance / drug design / Protease inhibitors / AIDS / Aspartyl protease / HYDROLASE-HYDROLASE INHIBITOR complex |
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