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1I1I
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BU of 1i1i by Molmil
NEUROLYSIN (ENDOPEPTIDASE 24.16) CRYSTAL STRUCTURE
Descriptor: NEUROLYSIN, ZINC ION
Authors:Brown, C.K, Madauss, K, Lian, W, Tolbert, W.D, Beck, M.R, Rodgers, D.W.
Deposit date:2001-02-01
Release date:2001-02-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of neurolysin reveals a deep channel that limits substrate access.
Proc.Natl.Acad.Sci.USA, 98, 2001
1JL0
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BU of 1jl0 by Molmil
Structure of a Human S-Adenosylmethionine Decarboxylase Self-processing Ester Intermediate and Mechanism of Putrescine Stimulation of Processing as Revealed by the H243A Mutant
Descriptor: 1,4-DIAMINOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-ADENOSYLMETHIONINE DECARBOXYLASE PROENZYME
Authors:Ekstrom, J.L, Tolbert, W.D, Xiong, H, Pegg, A.E, Ealick, S.E.
Deposit date:2001-07-13
Release date:2001-08-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a human S-adenosylmethionine decarboxylase self-processing ester intermediate and mechanism of putrescine stimulation of processing as revealed by the H243A mutant.
Biochemistry, 40, 2001
6D58
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BU of 6d58 by Molmil
Crystal structure of a Fc fragment of Human IgG3
Descriptor: 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 heavy constant gamma 3
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-04-19
Release date:2019-05-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal structure of a Fc fragment of Human IgG3.
To Be Published
6DMQ
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BU of 6dmq by Molmil
Crystal structure of the T27A mutant of human alpha defensin HNP4.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 4
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-06-05
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Systematic mutational analysis of human neutrophil alpha-defensin HNP4.
Biochim Biophys Acta Biomembr, 1861, 2019
6DMM
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BU of 6dmm by Molmil
Crystal structure of the G23A mutant of human alpha defensin HNP4.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 4, SULFATE ION
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-06-05
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Systematic mutational analysis of human neutrophil alpha-defensin HNP4.
Biochim Biophys Acta Biomembr, 1861, 2019
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
5UMM
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BU of 5umm by Molmil
CRYSTAL STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH 12-MER PEPTIDE INHIBITOR M3
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, PEPTIDE INHIBITOR M3
Authors:Pazgier, M, Gohain, N, Tolbert, W.D.
Deposit date:2017-01-27
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design of ultrahigh-affinity and dual-specificity peptide antagonists of MDM2 and MDMX for p53 activation
To Be Published
5UML
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BU of 5uml by Molmil
CRYSTAL STRUCTURE OF HUMAN MDMX IN COMPLEX WITH 12-MER PEPTIDE INHIBITOR M3
Descriptor: PEPTIDE INHIBITOR M3, Protein Mdm4
Authors:Pazgier, M, Gohain, N, Tolbert, W.D.
Deposit date:2017-01-27
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design of ultrahigh-affinity and dual-specificity peptide antagonists of MDM2 and MDMX for p53 activation
To Be Published
6CJC
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BU of 6cjc by Molmil
CRYSTAL STRUCTURE OF A FC FRAGMENT LALA MUTANT (L234A, L235A) OF HUMAN IGG1 (CRYSTAL FORM 3)
Descriptor: 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, CHLORIDE ION, Uncharacterized protein DKFZp686C11235
Authors:Tolbert, W.D, Van, V, Pazgier, M.
Deposit date:2018-02-26
Release date:2019-03-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.575 Å)
Cite:Antigen-Induced Allosteric Changes in a Human IgG1 Fc Increase Low-Affinity Fc gamma Receptor Binding.
Structure, 28, 2020
7RPV
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BU of 7rpv by Molmil
Crystal structure of affinity-enhancing and catalytically inactive ACE2 in complex with SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Chen, Y, Tolbert, D.W, Pazgier, M.
Deposit date:2021-08-04
Release date:2021-12-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.54 Å)
Cite:Engineered ACE2-Fc counters murine lethal SARS-CoV-2 infection through direct neutralization and Fc-effector activities.
Biorxiv, 2021
7RBY
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BU of 7rby by Molmil
Crystal structure of Nanobody nb112 and SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ilama-isolated nanobody NIH-CoV nb-112 specific to SARS-CoV-2 RBD, MAGNESIUM ION, ...
Authors:Chen, Y, Tolbert, W, Pazgier, M.
Deposit date:2021-07-06
Release date:2022-03-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Nebulized delivery of a broadly neutralizing SARS-CoV-2 RBD-specific nanobody prevents clinical, virological, and pathological disease in a Syrian hamster model of COVID-19.
Mabs, 14
8CZZ
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BU of 8czz by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations 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:Chen, Y, Pozharski, E, Tolbert, W, Pazgier, M.
Deposit date:2022-05-25
Release date:2023-05-31
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
8DOK
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BU of 8dok by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer in complex with 8ANC195 and 10-1074
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
7YOA
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BU of 7yoa by Molmil
High-resolution crystal structure of the mouse alpha-defensin cryptdin 14
Descriptor: Alpha-defensin 14, SULFATE ION
Authors:Yang, Y, Lu, W.
Deposit date:2022-08-01
Release date:2022-11-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Mouse alpha-Defensins: Structural and Functional Analysis of the 17 Cryptdin Isoforms Identified from a Single Jejunal Crypt.
Infect.Immun., 91, 2023
8G6U
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BU of 8g6u by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with 8ANC195 and 10-1074
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CRF-1_AE T/F100 HIV-1 gp41, ...
Authors:Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M.
Deposit date:2023-02-16
Release date:2023-11-08
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
3BQD
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BU of 3bqd by Molmil
Doubling the Size of the Glucocorticoid Receptor Ligand Binding Pocket by Deacylcortivazol
Descriptor: 1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone, Glucocorticoid receptor, Nuclear receptor coactivator 1
Authors:Xu, H.E.
Deposit date:2007-12-20
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Doubling the size of the glucocorticoid receptor ligand binding pocket by deacylcortivazol.
Mol.Cell.Biol., 28, 2008
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
6CJX
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BU of 6cjx by Molmil
Crystal structure of a Fc fragment LALA mutant (L234A, L235A) of human IgG1 (crystal form 2)
Descriptor: 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, Fc fragment of human IgG1
Authors:Van, V, Tolbert, W.D, Pazgier, M.
Deposit date:2018-02-27
Release date:2019-03-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Antigen-Induced Allosteric Changes in a Human IgG1 Fc Increase Low-Affinity Fc gamma Receptor Binding.
Structure, 2020
6CHF
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BU of 6chf by Molmil
Crystal structure of a Fc fragment LALA mutant (L234A, L235A) of human IgG1 (crystal form 1)
Descriptor: 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, Uncharacterized protein DKFZp686C11235
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-02-22
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antigen-Induced Allosteric Changes in a Human IgG1 Fc Increase Low-Affinity Fc gamma Receptor Binding.
Structure, 2020
4R4B
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BU of 4r4b by Molmil
Crystal structure of the anti-hiv-1 antibody 2.2c
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB 2.2C HEAVY CHAIN, FAB 2.2C LIGHT CHAIN, ...
Authors:McLellan, J.S, Acharya, P, Huang, C.-C, Robinson, J, Kwong, P.D.
Deposit date:2014-08-19
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
J.Virol., 88, 2014
4R4H
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BU of 4r4h by Molmil
Crystal structure of non-neutralizing, A32-like antibody 2.2c in complex with HIV-1 Env gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 2.2c, Heavy chain, ...
Authors:Mclellan, J, Acharya, P, Huang, C.-C, Kwong, P.D.
Deposit date:2014-08-19
Release date:2014-09-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4.28 Å)
Cite:Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
J.Virol., 88, 2014
4R4N
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BU of 4r4n by Molmil
Crystal structure of the anti-hiv-1 antibody 2.2c in complex with hiv-1 93ug037 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 2.2c LIGHT CHAIN, Antibody 2.2c heavy CHAIN, ...
Authors:Acharya, P, Louder, R, Kwong, P.D.
Deposit date:2014-08-19
Release date:2014-11-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.56 Å)
Cite:Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
J.Virol., 88, 2014
4R4F
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BU of 4r4f by Molmil
Crystal structure of non-neutralizing, A32-like antibody 2.2c in complex with HIV-1 YU2 gp120
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 2.2c LIGHT CHAIN, ...
Authors:Acharya, P, Kwong, P.D.
Deposit date:2014-08-19
Release date:2014-09-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.514 Å)
Cite:Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
J.Virol., 88, 2014
1S4B
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BU of 1s4b by Molmil
Crystal structure of human thimet oligopeptidase.
Descriptor: Thimet oligopeptidase, ZINC ION
Authors:Ray, K, Hines, C.S, Coll-Rodriguez, J, Rodgers, D.W.
Deposit date:2004-01-15
Release date:2004-07-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human thimet oligopeptidase provides insight into substrate recognition, regulation, and localization
J.Biol.Chem., 279, 2004
3SP8
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BU of 3sp8 by Molmil
Crystal structure of NK2 in complex with fractionated Heparin DP10
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Recacha, R, Mulloy, B, Gherardi, E.
Deposit date:2011-07-01
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of NK2 in complex with fractionated Heparin DP10
TO BE PUBLISHED

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