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7TJO
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BU of 7tjo by Molmil
HIV-1 gp120 complex with CJF-II-197-S
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, IMIDAZOLE, ...
著者Gong, Z, Hendrickson, W.A.
登録日2022-01-16
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Structural and Functional Characterization of Indane-Core CD4-Mimetic Compounds Substituted with Heterocyclic Amines
ACS Medicinal Chemistry Letters, 14, 2023
4I54
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BU of 4i54 by Molmil
Crystal structure of clade A/E 93TH057 HIV-1 gp120 H375S core in complex with DMJ-II-121
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 glycoprotein, ...
著者Le-Khac, M, Hendrickson, W.A.
登録日2012-11-28
公開日2013-05-29
最終更新日2021-05-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization.
ACS Med Chem Lett, 4, 2013
4I53
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Crystal structure of clade C1086 HIV-1 gp120 core in complex with DMJ-II-121
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, HIV-1 glycoprotein, ...
著者Le-Khac, M, Hendrickson, W.A.
登録日2012-11-28
公開日2013-05-29
最終更新日2021-05-26
実験手法X-RAY DIFFRACTION (2.5002 Å)
主引用文献Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization.
ACS Med Chem Lett, 4, 2013
5F4R
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BU of 5f4r by Molmil
HIV-1 gp120 complex with BNW-IV-147
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, FORMIC ACID, ...
著者Liang, S, Hendrickson, W.A.
登録日2015-12-03
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
ACS Med Chem Lett, 7, 2016
5F4P
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HIV-1 gp120 complex with BNM-III-170
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
著者Liang, S, Hendrickson, W.A.
登録日2015-12-03
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
Acs Med.Chem.Lett., 7, 2016
5F4L
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BU of 5f4l by Molmil
HIV-1 gp120 complex with JP-III-048
分子名称: ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
著者Liang, S, Hendrickson, W.A.
登録日2015-12-03
公開日2016-03-30
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
Acs Med.Chem.Lett., 7, 2016
5F4U
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BU of 5f4u by Molmil
HIV-1 gp120 complex with BNM-IV-197
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{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
著者Liang, S, Hendrickson, W.A.
登録日2015-12-03
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
ACS Med Chem Lett, 7, 2016
5O83
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BU of 5o83 by Molmil
Discovery of CDZ173 (leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors
分子名称: Leniolisib, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Gutmann, S, Rummel, G, Shrestha, B.
登録日2017-06-12
公開日2017-09-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors.
ACS Med Chem Lett, 8, 2017
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