タイトル | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance |
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ジャーナル・号・ページ | To be Published |
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掲載日 | 2011年6月2日 (構造データの登録日) |
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著者 | Altman, M.D. / Nalam, M.N.L. / Ali, A. / Cao, H. / Rana, T.M. / Schiffer, C.A. / Tidor, B. |
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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 | 1.5 - 1.95 Å |
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構造データ | PDB-3sa3: Crystal structure of wild-type HIV-1 protease in complex with AG23 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-3sa4: Crystal structure of wild-type HIV-1 protease in complex with AF72 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-3sa5: Crystal structure of wild-type HIV-1 protease in complex with AF69 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-3sa6: Crystal structure of wild-type HIV-1 protease in complex with AF71 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-3sa7: Crystal structure of wild-type HIV-1 protease in complex with AF55 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-3sa8: Crystal structure of wild-type HIV-1 protease in complex with KB83 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-3sa9: Crystal structure of Wild-type HIV-1 protease in complex With AF68 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-3saa: Crystal structure of Wild-type HIV-1 protease in complex With AF77 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-3sab: Crystal structure of wild-type HIV-1 protease in complex with AF78 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-3sac: Crystal structure of wild-type HIV-1 protease in complex with AF80 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å |
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化合物 | ChemComp-23X: N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-L-isoleucinamide
ChemComp-F72: N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide
ChemComp-A69: N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide
ChemComp-F71: 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-([(2S)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino)-1-phenylbutan-2-yl]benzamide
ChemComp-55A: N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-L-leucinamide
ChemComp-K83: 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]benzamide
ChemComp-A68: N~2~-acetyl-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-L-isoleucinamide
ChemComp-77F: N-[(2S,3R)-4-{(cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
ChemComp-F78: 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide
ChemComp-AF8: 3-hydroxy-N-{(2S,3R)-3-hydroxy-4-[(2-methylpropyl){[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino]-1-phenylbutan-2-yl}benzamide
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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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