タイトル | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition. |
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ジャーナル・号・ページ | Acs Med. Chem. Lett., Vol. 7, Page 330-334, Year 2016 |
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掲載日 | 2015年12月3日 (構造データの登録日) |
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著者 | Melillo, B. / Liang, S. / Park, J. / Schon, A. / Courter, J.R. / LaLonde, J.M. / Wendler, D.J. / Princiotto, A.M. / Seaman, M.S. / Freire, E. ...Melillo, B. / Liang, S. / Park, J. / Schon, A. / Courter, J.R. / LaLonde, J.M. / Wendler, D.J. / Princiotto, A.M. / Seaman, M.S. / Freire, E. / Sodroski, J. / Madani, N. / Hendrickson, W.A. / Smith, A.B. |
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リンク | Acs Med. Chem. Lett. / PubMed:26985324 |
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手法 | X線回折 |
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解像度 | 2.6 - 3.1 Å |
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構造データ | PDB-5f4l: HIV-1 gp120 complex with JP-III-048 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-5f4p: HIV-1 gp120 complex with BNM-III-170 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-5f4r: HIV-1 gp120 complex with BNW-IV-147 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-5f4u: HIV-1 gp120 complex with BNM-IV-197 手法: X-RAY DIFFRACTION / 解像度: 3.1 Å |
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化合物 | ChemComp-5VE: ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
ChemComp-5VG: ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
ChemComp-5VF: ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
ChemComp-5VH: ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
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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 / Crystal structure of HIV-1 gp120 complex with JP-III-048 / gp120 |
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