タイトル | Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase. |
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ジャーナル・号・ページ | Antimicrob. Agents Chemother., Vol. 67, Page e0046223-e0046223, Year 2023 |
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掲載日 | 2022年12月1日 (構造データの登録日) |
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著者 | Bonnard, D. / Le Rouzic, E. / Singer, M.R. / Yu, Z. / Le Strat, F. / Batisse, C. / Batisse, J. / Amadori, C. / Chasset, S. / Pye, V.E. ...Bonnard, D. / Le Rouzic, E. / Singer, M.R. / Yu, Z. / Le Strat, F. / Batisse, C. / Batisse, J. / Amadori, C. / Chasset, S. / Pye, V.E. / Emiliani, S. / Ledoussal, B. / Ruff, M. / Moreau, F. / Cherepanov, P. / Benarous, R. |
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リンク | Antimicrob. Agents Chemother. / PubMed:37310224 |
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手法 | X線回折 |
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解像度 | 1.7 - 2.44 Å |
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構造データ | PDB-8bv2: Biological and structural analysis of new potent Integrase-LEDGF allosteric HIV-1 inhibitors 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-8cbr: HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BDM-2 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-8cbs: HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT871 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-8cbt: HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT872 手法: X-RAY DIFFRACTION / 解像度: 2.14 Å PDB-8cbu: HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT884 手法: X-RAY DIFFRACTION / 解像度: 2.44 Å PDB-8cbv: HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT916 手法: X-RAY DIFFRACTION / 解像度: 1.82 Å |
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化合物 | ChemComp-RWR: (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
ChemComp-U5L: (2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
ChemComp-W2Q: (2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid
ChemComp-U60: (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid
ChemComp-U5S: (2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid
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由来 | ![](img/tx_virus.gif) human immunodeficiency virus 1 (ヒト免疫不全ウイルス)
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キーワード | VIRAL PROTEIN / inhibitors / integrase / HIV-1 / HIV / ALLINI / Allosteric Inhibitor / Inhibitor / Retrovirus / INLAI / NCINI / MINI / LEDGIN / Mutabilis / BDM-2 / MUT871 / MUT872 / MUT884 / MUT916 |
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