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5U6E
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Crystal structure of clade A/E HIV-1 gp120 core in complex with NBD-14010
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-{(1S)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1H-pyrrole-2-carboxamide, ...
Authors:Kwon, Y.D, Debnath, A.K, Kwong, P.D.
Deposit date:2016-12-07
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Synthesis, Antiviral Potency, in Vitro ADMET, and X-ray Structure of Potent CD4 Mimics as Entry Inhibitors That Target the Phe43 Cavity of HIV-1 gp120.
J. Med. Chem., 60, 2017
5UEM
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BU of 5uem by Molmil
Crystal structure of 354NC37 Fab in complex with HIV-1 clade AE strain 93TH057 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 354NC37 Fab Heavy Chain, ...
Authors:Sievers, S.A, Gristick, H.B, Bjorkman, P.J.
Deposit date:2017-01-02
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Coexistence of potent HIV-1 broadly neutralizing antibodies and antibody-sensitive viruses in a viremic controller.
Sci Transl Med, 9, 2017
5W4L
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BU of 5w4l by Molmil
Crystal structure of the non-neutralizing and ADCC-potent C11-like antibody N12-i3 in complex with HIV-1 clade A/E gp120, the CD4 mimetic M48U1, and the antibody N5-i5.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody N12-i3 Fab heavy chain, Antibody N12-i3 light chain, ...
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2017-06-12
Release date:2017-11-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Targeting the Late Stage of HIV-1 Entry for Antibody-Dependent Cellular Cytotoxicity: Structural Basis for Env Epitopes in the C11 Region.
Structure, 25, 2017
5WB9
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BU of 5wb9 by Molmil
Crystal structure of CD4 binding site antibody N60P23 in complex with HIV-1 clade A/E strain 93TH057 gp120 core
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ...
Authors:Gohain, N, Tolbert, W, Pazgier, M.
Deposit date:2017-06-28
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of Near-Pan-neutralizing Antibodies against HIV-1 by Deconvolution of Plasma Humoral Responses.
Cell, 173, 2018
7SX6
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BU of 7sx6 by Molmil
Crystal structure of broadly neutralizing antibody N49P9.3 Fab in complex with HIV-1 Clade A/E strain 93TH057 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2021-11-22
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of broadly neutralizing antibody N49P9.3 Fab in complex with HIV-1 Clade A/E strain 93TH057 gp120 core
To Be Published
7SX7
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BU of 7sx7 by Molmil
Crystal structure of broadly neutralizing antibody N49P9.3-FR3-3 Fab in complex with HIV-1 Clade A/E strain 93TH057 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N49P9.3-FR3-3 ANTIBODY FAB HEAVY CHAIN, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2021-11-22
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of broadly neutralizing antibody N49P9.3-FR3-3 Fab in complex with HIV-1 Clade A/E strain 93TH057 gp120 core
To Be Published
7TJP
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BU of 7tjp by Molmil
HIV-1 gp120 complex with CJF-II-195
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, IMIDAZOLE, ...
Authors:Gong, Z, Hendrickson, W.A.
Deposit date:2022-01-16
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural and Functional Characterization of Indane-Core CD4-Mimetic Compounds Substituted with Heterocyclic Amines
Acs Medicinal Chemistry Letters, 14, 2023
7TJO
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BU of 7tjo by Molmil
HIV-1 gp120 complex with CJF-II-197-S
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, IMIDAZOLE, ...
Authors:Gong, Z, Hendrickson, W.A.
Deposit date:2022-01-16
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Structural and Functional Characterization of Indane-Core CD4-Mimetic Compounds Substituted with Heterocyclic Amines
ACS Medicinal Chemistry Letters, 14, 2023
7UGQ
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BU of 7ugq by Molmil
Cryo-EM structure of BG24 Fabs with an inferred germline CDRL1 and 10-1074 Fabs in complex with HIV-1 Env 6405-SOSIP.664
Descriptor: 10-1074 Fab heavy chain, 10-1074 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dam, K.A, Bjorkman, P.J.
Deposit date:2022-03-25
Release date:2022-11-09
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:HIV-1 CD4-binding site germline antibody-Env structures inform vaccine design.
Nat Commun, 13, 2022
6CBP
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BU of 6cbp by Molmil
Crystal structure of the single chain variable fragment of the DH270.6 bnAb in complex with the Man9-V3 glycopeptide
Descriptor: DH270.6 single chain variable fragment, Man9-V3 glycopeptide, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ...
Authors:Fera, D, Harrison, S.C.
Deposit date:2018-02-03
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:HIV envelope V3 region mimic embodies key features of a broadly neutralizing antibody lineage epitope.
Nat Commun, 9, 2018
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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 glycoprotein, ...
Authors:Le-Khac, M, Hendrickson, W.A.
Deposit date:2012-11-28
Release date:2013-05-29
Last modified:2021-05-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 4i53 by Molmil
Crystal structure of clade C1086 HIV-1 gp120 core in complex with DMJ-II-121
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, HIV-1 glycoprotein, ...
Authors:Le-Khac, M, Hendrickson, W.A.
Deposit date:2012-11-28
Release date:2013-05-29
Last modified:2021-05-26
Method:X-RAY DIFFRACTION (2.5002 Å)
Cite:Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization.
ACS Med Chem Lett, 4, 2013
8SAU
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BU of 8sau by Molmil
CryoEM structure of DH270.4-CH848.10.17
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH848.10.17 gp120, CH848.10.17 gp41, ...
Authors:Henderson, R, Zhou, Y, Stalls, V, Bartesaghi, B, Acharya, P.
Deposit date:2023-04-02
Release date:2023-04-19
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for breadth development in the HIV-1 V3-glycan targeting DH270 antibody clonal lineage.
Nat Commun, 14, 2023
4JAN
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BU of 4jan by Molmil
crystal structure of broadly neutralizing antibody CH103 in complex with HIV-1 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ...
Authors:Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D.
Deposit date:2013-02-18
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus.
Nature, 496, 2013
4JPJ
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BU of 4jpj by Molmil
Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6
Authors:Julien, J.-P, Jardine, J, Schief, W.R, Wilson, I.A.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
4JPV
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BU of 4jpv by Molmil
Crystal structure of broadly and potently neutralizing antibody 3bnc117 in complex with hiv-1 gp120
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Zhou, T, Moquin, S, Kwong, P.D.
Deposit date:2013-03-19
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.827 Å)
Cite:Somatic Mutations of the Immunoglobulin Framework Are Generally Required for Broad and Potent HIV-1 Neutralization.
Cell(Cambridge,Mass.), 153, 2013
4KA2
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BU of 4ka2 by Molmil
Crystal structure of CD4-mimetic miniprotein M48U12 in complex with HIV-1 YU2 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 YU2 gp120, M48U12
Authors:Acharya, P, Kwong, P.D.
Deposit date:2013-04-21
Release date:2013-06-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Interfacial Cavity Filling To Optimize CD4-Mimetic Miniprotein Interactions with HIV-1 Surface Glycoprotein.
J.Med.Chem., 56, 2013
8SAZ
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BU of 8saz by Molmil
CryoEM structure of DH270.I5.6-CH848.10.17
Descriptor: CH848.10.17.SOSIP gp41, DH270.I5.6 variable heavy chain, DH270.I5.6 variable light chain, ...
Authors:Henderson, R, Zhou, Y, Stalls, V, Bartesaghi, B, Acharya, P.
Deposit date:2023-04-02
Release date:2023-04-19
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for breadth development in the HIV-1 V3-glycan targeting DH270 antibody clonal lineage.
Nat Commun, 14, 2023
8SB4
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BU of 8sb4 by Molmil
CryoEM structure of DH270.1-CH848.10.17
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH848.10.17 gp120, CH848.10.17 gp41, ...
Authors:Henderson, R, Zhou, Y, Stalls, V, Bartesaghi, B, Acharya, P.
Deposit date:2023-04-02
Release date:2023-04-19
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for breadth development in the HIV-1 V3-glycan targeting DH270 antibody clonal lineage.
Nat Commun, 14, 2023
4JPW
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BU of 4jpw by Molmil
Crystal structure of broadly and potently neutralizing antibody 12a21 in complex with hiv-1 strain 93th057 gp120 mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEAVY CHAIN OF ANTIBODY 12A21, ...
Authors:Acharya, P, Luongo, T, Zhou, T, Kwong, P.D.
Deposit date:2013-03-19
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.904 Å)
Cite:Somatic mutations of the immunoglobulin framework are generally required for broad and potent HIV-1 neutralization.
Cell(Cambridge,Mass.), 153, 2013
4J6R
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BU of 4j6r by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC23 in complex with HIV-1 gp120
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, ...
Authors:Zhou, T, Moquin, S, Kwong, P.D.
Deposit date:2013-02-11
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Delineating antibody recognition in polyclonal sera from patterns of HIV-1 isolate neutralization.
Science, 340, 2013
4JB9
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BU of 4jb9 by Molmil
Crystal structure of antibody VRC06 in complex with HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, antibody VRC06 heavy chain, antibody VRC06 light chain, ...
Authors:Kwon, Y.D, Zhou, T, Srivatsan, S, Kwong, P.D.
Deposit date:2013-02-19
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Delineating antibody recognition in polyclonal sera from patterns of HIV-1 isolate neutralization.
Science, 340, 2013
4JDT
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BU of 4jdt by Molmil
Crystal structure of chimeric germ-line precursor of NIH45-46 Fab in complex with gp120 of 93TH057 HIV-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
Authors:Scharf, L, Diskin, R, Bjorkman, P.J.
Deposit date:2013-02-25
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Structural basis for HIV-1 gp120 recognition by a germ-line version of a broadly neutralizing antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JPK
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BU of 4jpk by Molmil
Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain eOD-GT6 in complex with a putative VRC01 germline precursor Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6, ...
Authors:Julien, J.-P, Jardine, J, Schief, W.R, Wilson, I.A.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
4JZZ
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BU of 4jzz by Molmil
Crystal structure of CD4-mimetic miniprotein M48U1 in complex with HIV-1 YU2 gp120 in C2221 space group
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CD4-MIMETIC MINIPROTEIN M48U1, CITRATE ANION, ...
Authors:Acharya, P, Kwong, P.D.
Deposit date:2013-04-03
Release date:2013-06-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural Basis for Highly Effective HIV-1 Neutralization by CD4-Mimetic Miniproteins Revealed by 1.5 A Cocrystal Structure of gp120 and M48U1.
Structure, 21, 2013

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