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PDB: 191 results
5VK0
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BU of 5vk0 by Molmil
Crystal structure of human MDM2 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2017-04-20
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Chem Sci, 10, 2019
5VK1
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BU of 5vk1 by Molmil
Crystal structure of human MDM4 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Descriptor: Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI, Protein Mdm4
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2017-04-20
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Chem Sci, 10, 2019
2QJ2
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BU of 2qj2 by Molmil
A Mechanistic Basis for Converting a Receptor Tyrosine Kinase Agonist to an Antagonist
Descriptor: Hepatocyte growth factor, SULFATE ION
Authors:Tolbert, W.D, Daugherty, J, Gao, C.-F, Xe, Q, Miranti, C, Gherardi, E, Vande Woude, G, Xu, H.E.
Deposit date:2007-07-06
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:A mechanistic basis for converting a receptor tyrosine kinase agonist to an antagonist
Proc.Natl.Acad.Sci.Usa, 104, 2007
5KJR
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BU of 5kjr by Molmil
Crystal structure of the ADCC-potent antibody N60-i3 Fab in complex with HIV-1 Clade A/E gp120 W69A/S115W mutant and M48U1.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, M48U1 CD4 MIMETIC PEPTIDE, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2016-06-20
Release date:2016-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:A Highly Conserved gp120 Inner Domain Residue Modulates Env Conformation and Trimer Stability.
J.Virol., 90, 2016
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
6OZ4
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BU of 6oz4 by Molmil
Crystal structure of broadly neutralizing antibody N49P6 Fab in complex with HIV-1 BG505 SOSIP.664 Env trimer ectodomain.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2019-05-15
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.05 Å)
Cite:Near-Pan-neutralizing, Plasma Deconvoluted Antibody N49P6 Mimics Host Receptor CD4 in Its Quaternary Interactions with the HIV-1 Envelope Trimer.
Mbio, 2021
5CUJ
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BU of 5cuj by Molmil
Crystal structure of Human Defensin-5 Y27A mutant crystal form 2.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2015-07-24
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
5CUI
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BU of 5cui by Molmil
Crystal structure of Human Defensin-5 R28A mutant.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, ...
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2015-07-24
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
5CUM
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BU of 5cum by Molmil
Crystal structure of Human Defensin-5 Y27A mutant crystal form 1.
Descriptor: CALCIUM ION, CHLORIDE ION, Defensin-5, ...
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2015-07-24
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
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
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
6VSL
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BU of 6vsl by Molmil
Crystal structure of a human fucosylated IgG1 Fc expressed in tobacco plants (Nicotiana benthamiana)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2020-02-11
Release date:2021-02-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enhanced Ability of Plant-Derived PGT121 Glycovariants To Eliminate HIV-1-Infected Cells.
J.Virol., 95, 2021
6VSZ
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BU of 6vsz by Molmil
Crystal structure of a human afucosylated IgG1 Fc expressed in tobacco plants (Nicotiana benthamiana)
Descriptor: Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2020-02-12
Release date:2021-02-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Enhanced Ability of Plant-Derived PGT121 Glycovariants To Eliminate HIV-1-Infected Cells.
J.Virol., 95, 2021
6OEJ
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BU of 6oej by Molmil
CRYSTAL STRUCTURE OF THE NON-NEUTRALIZING AND ADCC-POTENT ANTIBODY C11 IN COMPLEX WITH HIV-1 CLADE A/E GP120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C11 Fab heavy chain, C11 Fab light chain, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2019-03-27
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Recognition Patterns of the C1/C2 Epitopes Involved in Fc-Mediated Response in HIV-1 Natural Infection and the RV114 Vaccine Trial.
Mbio, 11, 2020
6OZ2
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BU of 6oz2 by Molmil
Crystal structure of the broadly neutralizing antibody N49P6 Fab in complex with HIV-1 Clade A/E strain 93TH057 gp120 core.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N49P6 antibody Fab heavy chain, N49P6 antibody Fab light chain, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2019-05-15
Release date:2020-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Near-Pan-neutralizing, Plasma Deconvoluted Antibody N49P6 Mimics Host Receptor CD4 in Its Quaternary Interactions with the HIV-1 Envelope Trimer.
Mbio, 2021
4YC2
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BU of 4yc2 by Molmil
Crystal structure of the stabilized inner domain of clade A/E HIV-1 gp120 from E. coli in complex with the antibody A32.
Descriptor: The antibody A32 Fab heavy chain., The antibody A32 Fab light chain., The stabilized inner domain of clade A/E HIV-1 gp120 from E. coli
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2015-02-19
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Paring Down HIV Env: Design and Crystal Structure of a Stabilized Inner Domain of HIV-1 gp120 Displaying a Major ADCC Target of the A32 Region.
Structure, 24, 2016
4YBL
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BU of 4ybl by Molmil
Crystal structure of the stabilized inner domain of clade A/E HIV-1 gp120 in complex with the ADCC mediating ANTI-HIV-1 antibody A32
Descriptor: A32 antibody Fab heavy chain, A32 antibody light chain, Stabilized inner domain of clade A/E gp120
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2015-02-18
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Paring Down HIV Env: Design and Crystal Structure of a Stabilized Inner Domain of HIV-1 gp120 Displaying a Major ADCC Target of the A32 Region.
Structure, 24, 2016
6MFP
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BU of 6mfp by Molmil
Crystal Structure of the RV305 C1-C2 specific ADCC potent antibody DH677.3 Fab in complex with HIV-1 clade A/E gp120 and M48U1
Descriptor: 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, CHLORIDE ION, ...
Authors:Tolbert, W.D, Young, B, Pazgier, M.
Deposit date:2018-09-11
Release date:2019-09-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Boosting with AIDSVAX B/E Enhances Env Constant Region 1 and 2 Antibody-Dependent Cellular Cytotoxicity Breadth and Potency.
J.Virol., 94, 2020
1TRQ
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BU of 1trq by Molmil
X-RAY CRYSTALLOGRAPHIC AND CALORIMERIC STUDIES OF THE EFFECTS OF THE MUTATION TRP 59 TYR IN RIBONUCLEASE T1
Descriptor: CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1 ISOZYME
Authors:Schubert, W.-D, Saenger, W.
Deposit date:1993-07-06
Release date:1994-04-30
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray crystallographic and calorimetric studies of the effects of the mutation Trp59-->Tyr in ribonuclease T1.
Eur.J.Biochem., 220, 1994
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
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
4LB1
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BU of 4lb1 by Molmil
Crystal structure of human alpha-defensin 1 (HNP1) Y16A/F28A mutant
Descriptor: Neutrophil defensin 1
Authors:Tolbert, W.D, Wu, X, Pazgier, M.
Deposit date:2013-06-20
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function.
Plos One, 8, 2013
7N0X
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BU of 7n0x by Molmil
Rhesusized RV144 DH827 Fab bound to HIV-1 Env V2 peptide
Descriptor: DI(HYDROXYETHYL)ETHER, Glycoprotein 120, Rhesusized RV144 DH827 heavy chain Fab fragment, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2021-05-26
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Fc-Effector Function of Rhesusized Variants of Human Anti-HIV-1 IgG1s.
Front Immunol, 12, 2021
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
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
7S4S
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BU of 7s4s by Molmil
Crystal Structure of SARS-CoV-2 S receptor-binding domain (RBD) in complex CoV11 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CoV11 heavy chain, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2021-09-09
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023

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