タイトル | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. |
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ジャーナル・号・ページ | ACS Infect Dis, Vol. 5, Page 316-325, Year 2019 |
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掲載日 | 2018年5月18日 (構造データの登録日) |
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著者 | Lockbaum, G.J. / Leidner, F. / Rusere, L.N. / Henes, M. / Kosovrasti, K. / Nachum, G.S. / Nalivaika, E.A. / Ali, A. / Yilmaz, N.K. / Schiffer, C.A. |
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リンク | ACS Infect Dis / PubMed:30543749 |
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手法 | X線回折 |
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解像度 | 1.899 - 2.008 Å |
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構造データ | PDB-6dgx: Crystal structure of HIV-1 Protease NL4-3 WT in complex with darunavir 手法: X-RAY DIFFRACTION / 解像度: 2.001 Å PDB-6dgy: Crystal structure of HIV-1 Protease NL4-3 WT in complex with UMass1 手法: X-RAY DIFFRACTION / 解像度: 1.954 Å PDB-6dgz: Crystal structure of HIV-1 Protease NL4-3 WT in complex with UMass6 手法: X-RAY DIFFRACTION / 解像度: 1.994 Å PDB-6dh0: Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with darunavir 手法: X-RAY DIFFRACTION / 解像度: 1.899 Å PDB-6dh1: Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with UMass1 手法: X-RAY DIFFRACTION / 解像度: 1.971 Å PDB-6dh2: Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with UMass6 手法: X-RAY DIFFRACTION / 解像度: 1.978 Å PDB-6dh3: Crystal structure of HIV-1 Protease NL4-3 V82I Mutant in complex with darunavir 手法: X-RAY DIFFRACTION / 解像度: 1.908 Å PDB-6dh4: Crystal structure of HIV-1 Protease NL4-3 V82I Mutant in complex with UMass1 手法: X-RAY DIFFRACTION / 解像度: 1.943 Å PDB-6dh5: Crystal structure of HIV-1 Protease NL4-3 V82I Mutant in complex with UMass6 手法: X-RAY DIFFRACTION / 解像度: 2.008 Å PDB-6dh6: Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with darunavir 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-6dh7: Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with UMass1 手法: X-RAY DIFFRACTION / 解像度: 1.997 Å PDB-6dh8: Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with UMass6 手法: X-RAY DIFFRACTION / 解像度: 1.951 Å |
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化合物 | ChemComp-017: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE / ダルナビル / 薬剤, 抗レトロウイルス剤*YM
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-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
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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 / Protease / NL4-3 / DRUG RESISTANCE / PROTEASE INHIBITOR / HYDROLASE INHIBITOR COMPLEX / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex |
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