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8F9Z
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Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-14204, an HIV-1 gp120 antagonist
Descriptor: (5M)-N-{(1S)-2-amino-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl}-5-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2022-11-25
Release date:2023-01-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Antiviral Activity and Crystal Structures of HIV-1 gp120 Antagonists.
Int J Mol Sci, 23, 2022
8GD0
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Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with TFH-I-070-A6
Descriptor: (3S)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GD1
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Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with ZXC-I-092
Descriptor: (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GJT
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BU of 8gjt by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with TFH-I-116-D1
Descriptor: (3S)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-16
Release date:2023-06-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GCZ
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BU of 8gcz by Molmil
Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with ZXC-I-090
Descriptor: (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Nguyen, D.N, Tolbert, W.D, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GD5
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Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with DL-I-102
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HS clade A/E CRF01 gp120 core, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GD3
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Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with DL-I-101
Descriptor: (3S,5R)-N-(4-chloro-3-fluorophenyl)-1-(4-glycylpiperazine-1-carbonyl)-5-(hydroxymethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-03
Release date:2023-06-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC.
Viruses, 15, 2023
8GDJ
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BU of 8gdj by Molmil
Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-128
Descriptor: (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Nguyen, D.N, Tolbert, W.D, Pazgier, M.
Deposit date:2023-03-06
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-128
To Be Published
8GDK
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BU of 8gdk by Molmil
Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-151
Descriptor: (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-06
Release date:2024-03-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-151
To Be Published
7N8Q
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BU of 7n8q by Molmil
Rhesusized RV305 DH677.3 Fab bound to Clade A/E 93TH057 HIV-1 gp120 core.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, M48U1 CD4 MIMETIC PEPTIDE, Rhesusized DH677.3 FAB HEAVY CHAIN, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2021-06-15
Release date:2022-04-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and Fc-Effector Function of Rhesusized Variants of Human Anti-HIV-1 IgG1s.
Front Immunol, 12, 2021
8FM0
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BU of 8fm0 by Molmil
HIV-1 gp120 complex with CJF-III-214
Descriptor: 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
Authors:Gong, Z, Hendrickson, W.A.
Deposit date:2022-12-22
Release date:2023-04-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite: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
Descriptor: 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
Authors:Gong, Z, Hendrickson, W.A.
Deposit date:2022-12-22
Release date:2023-04-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.18 Å)
Cite: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
Descriptor: 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
Authors:Gong, Z, Hendrickson, W.A.
Deposit date:2022-12-22
Release date:2023-04-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
8FM5
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BU of 8fm5 by Molmil
HIV-1 gp120 complex with DY-III-065
Descriptor: 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
Authors:Gong, Z, Hendrickson, W.A.
Deposit date:2022-12-22
Release date:2023-04-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite: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
Descriptor: 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
Authors:Gong, Z, Hendrickson, W.A.
Deposit date:2022-12-22
Release date:2023-04-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.34 Å)
Cite: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
Descriptor: 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
Authors:Gong, Z, Hendrickson, W.A.
Deposit date:2022-12-22
Release date:2023-04-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, IMIDAZOLE, ...
Authors:Gong, Z, Hendrickson, W.A.
Deposit date:2022-12-22
Release date:2023-04-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 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
Authors:Gong, Z, Hendrickson, W.A.
Deposit date:2022-12-22
Release date:2023-04-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.11 Å)
Cite: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
Descriptor: (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, ...
Authors:Gong, Z, Hendrickson, W.A.
Deposit date:2022-12-22
Release date:2023-04-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.47 Å)
Cite: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
7PC2
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BU of 7pc2 by Molmil
HIV-1 Env (BG505 SOSIP.664) in complex with the IgA bNAb 7-269 and the antibody 3BNC117.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC IgG Fab heavy chain, ...
Authors:Fernandez, I, Bontems, F, Pehau-Arnaudet, G, Rey, F.
Deposit date:2021-08-03
Release date:2022-02-23
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Epitope convergence of broadly HIV-1 neutralizing IgA and IgG antibody lineages in a viremic controller.
J.Exp.Med., 219, 2022
1QNZ
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BU of 1qnz by Molmil
NMR structure of the 0.5b anti-HIV antibody complex with the gp120 V3 peptide
Descriptor: 0.5B ANTIBODY (HEAVY CHAIN), 0.5B ANTIBODY (LIGHT CHAIN), GP120
Authors:Tugarinov, V, Zvi, A, Levy, R, Hayek, Y, Matsushita, S, Anglister, J.
Deposit date:1999-10-26
Release date:2000-06-03
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:NMR Structure of an Anti-Gp120 Antibody Complex with a V3 Peptide Reveals a Surface Important for Co-Receptor Binding
Structure, 8, 2000
6PW6
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BU of 6pw6 by Molmil
The HIV-1 Envelope Glycoprotein Clone BG505 SOSIP.664 in Complex with Three Copies of the Bovine Broadly Neutralizing Antibody, NC-Cow1, Fragment Antigen Binding Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Broadly Neutralizing Antibody NC-Cow1 Heavy Chain, ...
Authors:Berndsen, Z.T, Ward, A.B.
Deposit date:2019-07-22
Release date:2020-06-24
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural basis of broad HIV neutralization by a vaccine-induced cow antibody.
Sci Adv, 6, 2020
6PWU
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BU of 6pwu by Molmil
Structure of full-length, fully glycosylated, non-modified HIV-1 gp160 bound to PG16 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pan, J, Chen, B, Harrison, S.C.
Deposit date:2019-07-23
Release date:2020-02-26
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Cryo-EM Structure of Full-length HIV-1 Env Bound With the Fab of Antibody PG16.
J.Mol.Biol., 432, 2020
6WIX
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BU of 6wix by Molmil
Crystal Structure of HIV-1 MI369 RnS-DS.SOSIP Prefusion Env Trimer in Complex with Human Antibodies 3H109L and 35O22 at 3.5 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Olia, A, Kwong, P.D.
Deposit date:2020-04-10
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Automated Design by Structure-Based Stabilization and Consensus Repair to Achieve Prefusion-Closed Envelope Trimers in a Wide Variety of HIV Strains.
Cell Rep, 33, 2020
8JTD
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BU of 8jtd by Molmil
BJOX2000.664 trimer in complex with Fab fragment of broadly neutralizing HIV antibody PGT145
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PGT145 antibody fragment, ...
Authors:Chatterjee, A, Chen, C, Lee, K, Mangala Prasad, V.
Deposit date:2023-06-21
Release date:2023-10-25
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:An HIV-1 broadly neutralizing antibody overcomes structural and dynamic variation through highly focused epitope targeting.
Npj Viruses, 1, 2023

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数据于2024-11-13公开中

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