タイトル | Design of a series of novel three-armed pyrrolidine-based inhibitors for HIV-1 protease |
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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1月13日 (構造データの登録日) |
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著者 | Lindemann, I. / Klee, N. / Heine, A. / Diederich, W.E. / Klebe, G. |
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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 | 1.45 - 1.731 Å |
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構造データ | PDB-3qbf: HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-3qpj: HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.61 Å PDB-3qrm: HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.731 Å PDB-3qro: HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.616 Å PDB-3qrs: HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.59 Å |
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化合物 | ChemComp-JHG: 4-{(3-phenylpropyl)[(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide
ChemComp-N4I: 4-({(3S,4S)-4-[(3-hydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide
ChemComp-NK7: 4-{[4-(trifluoromethyl)benzyl][(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide
ChemComp-NK9: 4-({(3S,4S)-4-[(3,5-dihydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide
ChemComp-NK8: 4-({(3S,4S)-4-[(4-carbamoylbenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide
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由来 | human immunodeficiency virus type 1 (bru isolate) (ヒト免疫不全ウイルス)
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キーワード | HYDROLASE/HYDROLASE INHIBITOR / Aspartyl Protease / HYDROLASE-HYDROLASE INHIBITOR complex |
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