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3MTS
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BU of 3mts by Molmil
Chromo Domain of Human Histone-Lysine N-Methyltransferase SUV39H1
Descriptor: Histone-lysine N-methyltransferase SUV39H1
Authors:Lam, R, Li, Z, Wang, J, Crombet, L, Walker, J.R, Ouyang, H, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-04-30
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Human SUV39H1 Chromodomain and Its Recognition of Histone H3K9me2/3.
Plos One, 7, 2012
7NR3
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BU of 7nr3 by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2021-03-02
Release date:2021-10-06
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
7NR9
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BU of 7nr9 by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M, Cleasby, A.
Deposit date:2021-03-03
Release date:2021-10-06
Method:X-RAY DIFFRACTION (1.906 Å)
Cite:Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
7NR8
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BU of 7nr8 by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:O'Reilly, M, Cleasby, A.
Deposit date:2021-03-03
Release date:2021-10-06
Method:X-RAY DIFFRACTION (1.627 Å)
Cite:Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
7NR5
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BU of 7nr5 by Molmil
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: (2~{R})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M, Cleasby, A.
Deposit date:2021-03-03
Release date:2021-10-06
Method:X-RAY DIFFRACTION (1.766 Å)
Cite:Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J.Med.Chem., 64, 2021
2Z8P
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BU of 2z8p by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
Descriptor: (GLY)(GLU)(ALA)(TPO)(VAL)(PTR)(ALA), 27.5 kDa virulence protein
Authors:Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
Deposit date:2007-09-07
Release date:2007-12-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
3Q32
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BU of 3q32 by Molmil
Structure of Janus kinase 2 with a pyrrolotriazine inhibitor
Descriptor: 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone, Tyrosine-protein kinase JAK2
Authors:Sack, J.S.
Deposit date:2010-12-21
Release date:2011-02-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Pyrrolo[1,2-f]triazines as JAK2 inhibitors: Achieving potency and selectivity for JAK2 over JAK3.
Bioorg.Med.Chem.Lett., 21, 2011
5UIY
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BU of 5uiy by Molmil
Structure of Bromodomain from human BAZ1A
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain adjacent to zinc finger domain protein 1A
Authors:Oppikofer, M, Sudhamsu, J.
Deposit date:2017-01-16
Release date:2017-07-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.687 Å)
Cite:Non-canonical reader modules of BAZ1A promote recovery from DNA damage.
Nat Commun, 8, 2017
4K3Y
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BU of 4k3y by Molmil
Crystal structure of a subtype N11 neuraminidase-like protein of A/flat-faced bat/Peru/033/2010 (H18N11)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, 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:Zhu, X, Wilson, I.A.
Deposit date:2013-04-11
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.682 Å)
Cite:New world bats harbor diverse influenza a viruses.
Plos Pathog., 9, 2013
8JEL
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BU of 8jel by Molmil
Crystal structure of TIGIT in complexed with Ociperlimab, crystal form I
Descriptor: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEQ
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BU of 8jeq by Molmil
Crystal structure of Tiragolumab
Descriptor: antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEP
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BU of 8jep by Molmil
Crystal structure of Ociperlimab
Descriptor: antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEO
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BU of 8jeo by Molmil
Crystal structure of TIGIT in complexed with Tiragolumab
Descriptor: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEN
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BU of 8jen by Molmil
Crystal structure of TIGIT in complexed with Ociperlimab, crystal form II
Descriptor: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
1EER
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BU of 1eer by Molmil
CRYSTAL STRUCTURE OF HUMAN ERYTHROPOIETIN COMPLEXED TO ITS RECEPTOR AT 1.9 ANGSTROMS
Descriptor: ERYTHROPOIETIN, ERYTHROPOIETIN RECEPTOR
Authors:Syed, R.S, Li, C.
Deposit date:1998-07-24
Release date:1999-10-01
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Efficiency of signalling through cytokine receptors depends critically on receptor orientation.
Nature, 395, 1998
8IYX
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BU of 8iyx by Molmil
Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365
Descriptor: 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365
Authors:Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M.
Deposit date:2023-04-06
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
2Z8N
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BU of 2z8n by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
Descriptor: 27.5 kDa virulence protein, SULFATE ION
Authors:Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
Deposit date:2007-09-07
Release date:2007-12-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
3U9Q
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BU of 3u9q by Molmil
Ligand binding domain of PPARgamma complexed with Decanoic Acid and PGC-1a peptide
Descriptor: DECANOIC ACID, PGC-1a peptide, Peroxisome proliferator-activated receptor gamma
Authors:Malapaka, V.R, Xu, H.E.
Deposit date:2011-10-19
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.522 Å)
Cite:Identification and Mechanism of 10-Carbon Fatty Acid as Modulating Ligand of Peroxisome Proliferator-activated Receptors.
J.Biol.Chem., 287, 2012
2Z8M
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BU of 2z8m by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
Descriptor: 27.5 kDa virulence protein
Authors:Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
Deposit date:2007-09-07
Release date:2007-12-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
4IOU
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BU of 4iou by Molmil
Crystal structure of the HIV-1 Vif binding, catalytically active domain of APOBEC3F
Descriptor: DNA dC->dU-editing enzyme APOBEC-3F, ZINC ION
Authors:Bohn, M, Shandilya, S.M.D, Schiffer, C.A.
Deposit date:2013-01-08
Release date:2013-05-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Crystal Structure of the DNA Cytosine Deaminase APOBEC3F: The Catalytically Active and HIV-1 Vif-Binding Domain.
Structure, 21, 2013
6KVH
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BU of 6kvh by Molmil
The mutant crystal structure of endo-polygalacturonase (T284A) from Talaromyces leycettanus JCM 12802
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose, endo-polygalacturonase
Authors:Tu, T, Wang, Z, Luo, H, Yao, B.
Deposit date:2019-09-04
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Insights into the Mechanisms Underlying the Kinetic Stability of GH28 Endo-Polygalacturonase.
J.Agric.Food Chem., 69, 2021
6A0Z
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BU of 6a0z by Molmil
Crystal structure of broadly neutralizing antibody 13D4 bound to H5N1 influenza hemagglutinin, HA head region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 13D4, Fab Heavy Chain, ...
Authors:Li, S, Li, T.
Deposit date:2018-06-06
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.329 Å)
Cite:Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus.
J. Virol., 92, 2018
6L31
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BU of 6l31 by Molmil
L1 protein of human papillomavirus 6
Descriptor: Major capsid protein L1
Authors:Li, S.W, Liu, X.L, Gu, Y.
Deposit date:2019-10-07
Release date:2019-12-25
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite:Neutralization sites of human papillomavirus-6 relate to virus attachment and entry phase in viral infection.
Emerg Microbes Infect, 8, 2019
6A0X
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BU of 6a0x by Molmil
Crystal structure of broadly neutralizing antibody 13D4
Descriptor: Antibody 13D4, Fab Heavy Chain, Fab Light Chain
Authors:Li, S, Li, T.
Deposit date:2018-06-06
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus.
J. Virol., 92, 2018
6UM5
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BU of 6um5 by Molmil
Cryo-EM structure of HIV-1 neutralizing antibody DH270 UCA3 in complex with CH848 10.17DT Env
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)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Acharya, P, Henderson, R.C, Saunders, K.O, Haynes, B.F.
Deposit date:2019-10-09
Release date:2019-12-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Targeted selection of HIV-specific antibody mutations by engineering B cell maturation.
Science, 366, 2019

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数据于2024-07-10公开中

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