タイトル | How much binding affinity can be gained by filling a cavity? |
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ジャーナル・号・ページ | Chem. Biol. Drug Des., Vol. 75, Page 143-151, Year 2010 |
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掲載日 | 2009年10月22日 (構造データの登録日) |
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著者 | Kawasaki, Y. / Chufan, E.E. / Lafont, V. / Hidaka, K. / Kiso, Y. / Mario Amzel, L. / Freire, E. |
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リンク | Chem. Biol. Drug Des. / PubMed:20028396 |
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手法 | X線回折 |
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解像度 | 1.66 - 2.2 Å |
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構造データ | PDB-3kdb: Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10006 手法: X-RAY DIFFRACTION / 解像度: 1.66 Å PDB-3kdc: Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10074 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-3kdd: Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10265 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å |
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化合物 | ChemComp-006: (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide / KNI-10006
ChemComp-JZP: (4R)-3-[(2S,3S)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
ChemComp-JZQ: (4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-
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由来 | - human immunodeficiency virus type 1 (ヒト免疫不全ウイルス)
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キーワード | HYDROLASE/HYDROLASE INHIBITOR / VIRAL PROTEIN / Hydrolase / Protease / HYDROLASE-HYDROLASE INHIBITOR complex |
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