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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
7URS
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BU of 7urs by Molmil
Crystal Structure of SARS-CoV-2 S delta variant receptor-binding domain (RBD) in complex CoV11 Fab crystal form 2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COV11 Fab HEAVY CHAIN, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2022-04-22
Release date:2022-05-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023
7URQ
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BU of 7urq by Molmil
Crystal Structure of SARS-CoV-2 S delta variant receptor-binding domain (RBD) in complex CoV11 Fab crystal form 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COV11 Fab HEAVY CHAIN, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2022-04-22
Release date:2022-05-04
Last modified:2024-10-16
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
7UI2
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BU of 7ui2 by Molmil
The crystal structure of 15kDa Phlebotomus papatasi salivary protein Ppsp15.
Descriptor: ACETATE ION, SP15 protein
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2022-03-28
Release date:2023-04-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:The crystal structure of 15kDa Phlebotomus papatasi salivary protein Ppsp15.
To Be Published
7URU
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BU of 7uru by Molmil
Crystal structure of the low affinity Fc gamma receptor IIIA variant in complex with the Fc of IgG1.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]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, Immunoglobulin gamma-1 heavy chain, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2022-04-22
Release date:2023-04-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the low affinity Fc gamma receptor IIIA variant in complex with the Fc of IgG1.
To Be Published
1I7B
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BU of 1i7b by Molmil
HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND S-ADENOSYLMETHIONINE METHYL ESTER
Descriptor: 1,4-DIAMINOBUTANE, S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, S-ADENOSYLMETHIONINE DECARBOXYLASE BETA CHAIN, ...
Authors:Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E.
Deposit date:2001-03-08
Release date:2001-08-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase.
Biochemistry, 40, 2001
1I72
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BU of 1i72 by Molmil
HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND 5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE
Descriptor: 1,4-DIAMINOBUTANE, 5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE, S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ...
Authors:Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E.
Deposit date:2001-03-07
Release date:2001-08-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase.
Biochemistry, 40, 2001
1I7C
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BU of 1i7c by Molmil
HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COMPLEXED WITH METHYLGLYOXAL BIS-(GUANYLHYDRAZONE)
Descriptor: 1,4-DIAMINOBUTANE, METHYLGLYOXAL BIS-(GUANYLHYDRAZONE), S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ...
Authors:Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E.
Deposit date:2001-03-08
Release date:2001-08-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase.
Biochemistry, 40, 2001
1I7M
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BU of 1i7m by Molmil
HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COMPLEXED WITH 4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE
Descriptor: 1,4-DIAMINOBUTANE, 4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE, S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ...
Authors:Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E.
Deposit date:2001-03-09
Release date:2001-08-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase.
Biochemistry, 40, 2001
1I79
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BU of 1i79 by Molmil
HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND 5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE
Descriptor: 1,4-DIAMINOBUTANE, 5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE, S-ADENOSYLMETHIONINE DECARBOXYLASE ALPHA CHAIN, ...
Authors:Tolbert, W.D, Ekstrom, J.L, Mathews, I.I, Secrist III, J.A, Pegg, A.E, Ealick, S.E.
Deposit date:2001-03-08
Release date:2001-08-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase.
Biochemistry, 40, 2001
1MT1
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BU of 1mt1 by Molmil
The Crystal Structure of Pyruvoyl-dependent Arginine Decarboxylase from Methanococcus jannaschii
Descriptor: AGMATINE, PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE ALPHA CHAIN, PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE BETA CHAIN
Authors:Tolbert, W.D, Graham, D.E, White, R.H, Ealick, S.E.
Deposit date:2002-09-20
Release date:2003-03-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Pyruvoyl-Dependent Arginine Decarboxylase from Methanococcus jannaschii: Crystal Structures of the Self-Cleaved and S53A Proenzyme Forms
Structure, 11, 2003
1N2M
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BU of 1n2m by Molmil
The S53A Proenzyme Structure of Methanococcus jannaschii.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Pyruvoyl-dependent arginine decarboxylase
Authors:Tolbert, W.D, Graham, D.E, White, R.H, Ealick, S.E.
Deposit date:2002-10-23
Release date:2003-03-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pyruvoyl-Dependent Arginine Decarboxylase from Methanococcus jannaschii: Crystal Structures of the Self-Cleaved and S53A Proenzyme Forms
Structure, 11, 2003
1N13
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BU of 1n13 by Molmil
The Crystal Structure of Pyruvoyl-dependent Arginine Decarboxylase from Methanococcus jannashii
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, AGMATINE, Pyruvoyl-dependent arginine decarboxylase alpha chain, ...
Authors:Tolbert, W.D, Graham, D.E, White, R.H, Ealick, S.E.
Deposit date:2002-10-16
Release date:2003-03-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Pyruvoyl-Dependent Arginine Decarboxylase from Methanococcus jannaschii: Crystal Structures of the Self-Cleaved and S53A Proenzyme Forms
Structure, 11, 2003
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
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
5FCU
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BU of 5fcu by Molmil
CRYSTAL STRUCTURE OF THE INNER DOMAIN OF CLADE A/E HIV-1 GP120 IN COMPLEX WITH THE ADCC-POTENT RHESUS MACAQUE ANTIBODY JR4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, JR4 FAB HEAVY CHAIN, ...
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2015-12-15
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 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
8TTW
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BU of 8ttw by Molmil
Cryo-EM structure of BG505 SOSIP.664 HIV-1 Env trimer in complex with temsavir, 8ANC195, and 10-1074
Descriptor: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Tolbert, W.D, Pozharski, E, Pazgier, M.
Deposit date:2023-08-15
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
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:2024-10-23
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:2024-10-16
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion.
Immunity, 2018
8DCQ
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BU of 8dcq by Molmil
CRYSTAL STRUCTURE OF HIV-1 LM/HT CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH YIR-821
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HT Clade A/E CRF01 gp120 core, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2022-06-17
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Characterization of a Novel CD4 Mimetic Compound YIR-821 against HIV-1 Clinical Isolates.
J.Virol., 97, 2023
6MG7
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BU of 6mg7 by Molmil
Crystal structure of the RV144 C1-C2 specific antibody CH54 Fab in complex with HIV-1 CLADE A/E GP120 and M48U1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CH54 Fab heavy chain, CH54 Fab light chain, ...
Authors:Van, V, Tolbert, W.D, Pazgier, M.
Deposit date:2018-09-13
Release date:2019-09-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.91 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
6MJ3
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BU of 6mj3 by Molmil
CRYSTAL STRUCTURE OF RHESUS MACAQUE (MACACA MULATTA) IGG1 Fc Fragment-Fc-GAMMA RECEPTOR III complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]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, Igg1 Fc, ...
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-09-20
Release date:2019-08-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Decoding human-macaque interspecies differences in Fc-effector functions: The structural basis for CD16-dependent effector function in Rhesus macaques.
Front Immunol, 13, 2022
6MJO
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BU of 6mjo by Molmil
CRYSTAL STRUCTURE OF RHESUS MACAQUE (MACACA MULATTA) FC-GAMMA RECEPTOR III
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Low affinity immunoglobulin gamma Fc region receptor III, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[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:Van, V, Tolbert, W.D, Pazgier, M.
Deposit date:2018-09-21
Release date:2019-11-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Decoding human-macaque interspecies differences in Fc-effector functions: The structural basis for CD16-dependent effector function in Rhesus macaques.
Front Immunol, 13, 2022

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