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PDB: 19 件
8FM5
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HIV-1 gp120 complex with DY-III-065
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,3,3-trifluoropropyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate, Envelope glycoprotein gp120
著者Gong, Z, Hendrickson, W.A.
登録日2022-12-22
公開日2023-04-05
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FLZ
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BU of 8flz by Molmil
HIV-1 gp120 complex with CJF-III-049-S
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide
著者Gong, Z, Hendrickson, W.A.
登録日2022-12-22
公開日2023-04-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FLY
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BU of 8fly by Molmil
HIV-1 gp120 complex with BNM-III-170
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ~{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Gong, Z, Hendrickson, W.A.
登録日2022-12-22
公開日2023-04-05
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FM0
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BU of 8fm0 by Molmil
HIV-1 gp120 complex with CJF-III-214
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate
著者Gong, Z, Hendrickson, W.A.
登録日2022-12-22
公開日2023-04-05
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FM3
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BU of 8fm3 by Molmil
HIV-1 gp120 complex with CJF-III-288
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, propyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate
著者Gong, Z, Hendrickson, W.A.
登録日2022-12-22
公開日2023-04-05
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FM4
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BU of 8fm4 by Molmil
HIV-1 gp120 complex with CJF-IV-047
分子名称: 2,2,2-trifluoroethyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120
著者Gong, Z, Hendrickson, W.A.
登録日2022-12-22
公開日2023-04-05
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FM7
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BU of 8fm7 by Molmil
HIV-1 gp120 complex with CJF-III-192
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, benzyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate
著者Gong, Z, Hendrickson, W.A.
登録日2022-12-22
公開日2023-04-05
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FM2
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BU of 8fm2 by Molmil
HIV-1 gp120 complex with CJF-III-289
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, IMIDAZOLE, ...
著者Gong, Z, Hendrickson, W.A.
登録日2022-12-22
公開日2023-04-05
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FM8
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BU of 8fm8 by Molmil
HIV-1 gp120 complex with CJF-IV-046
分子名称: (pentafluorophenyl)methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
著者Gong, Z, Hendrickson, W.A.
登録日2022-12-22
公開日2023-04-05
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
4I53
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BU of 4i53 by Molmil
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
7RI1
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BU of 7ri1 by Molmil
Crystal structure of anti-HIV llama VHH antibody J3 in complex with HIV-1 C1086 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, Lamma VHH antibody J3, ...
著者Zhou, T, Kwong, P.D.
登録日2021-07-19
公開日2022-03-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis for llama nanobody recognition and neutralization of HIV-1 at the CD4-binding site.
Structure, 30, 2022
5F4P
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BU of 5f4p by Molmil
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
3TGS
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BU of 3tgs by Molmil
Crystal structure of HIV-1 clade C strain C1086 gp120 core in complex with NBD-556
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120 core, N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
著者Kwon, Y.D, Kwong, P.D.
登録日2011-08-17
公開日2012-04-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
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
3TGR
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BU of 3tgr by Molmil
Crystal structure of unliganded HIV-1 clade C strain C1086 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120
著者Kwon, Y.D, Kwong, P.D.
登録日2011-08-17
公開日2012-04-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
7RI2
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BU of 7ri2 by Molmil
Crystal structure of anti-HIV llama VHH antibody A12 in complex with HIV-1 C1086 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, anti-HIV llama VHH antibody A12
著者Zhou, T, Kwong, P.D.
登録日2021-07-19
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for llama nanobody recognition and neutralization of HIV-1 at the CD4-binding site.
Structure, 30, 2022
4LSV
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BU of 4lsv by Molmil
Crystal structure of broadly and potently neutralizing antibody 3BNC117 in complex with HIV-1 clade C C1086 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEAVY CHAIN OF ANTIBODY 3BNC117, IMIDAZOLE, ...
著者Zhou, T, Moquin, S, Kwong, P.D.
登録日2013-07-23
公開日2013-08-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
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

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