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5J8R
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BU of 5j8r by Molmil
Crystal Structure of the Catalytic Domain of Human Protein Tyrosine Phosphatase non-receptor Type 12 - K61R mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 12
Authors:Li, H, Yang, F, Xu, Y.F, Wang, W.J, Xiao, P, Yu, X, Sun, J.P.
Deposit date:2016-04-08
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.043 Å)
Cite:Crystal structure and substrate specificity of PTPN12.
Cell Rep, 15, 2016
6C7T
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BU of 6c7t by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 20 round 5
Descriptor: Kemp Eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-23
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6CAI
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BU of 6cai by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 24 round 7
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Kemp Eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-30
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
8VEY
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BU of 8vey by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and TNG908
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
3N9Q
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BU of 3n9q by Molmil
ceKDM7A from C.elegans, complex with H3K4me3 peptide, H3K27me2 peptide and NOG
Descriptor: FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ...
Authors:Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y.
Deposit date:2010-05-31
Release date:2010-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
8VEU
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BU of 8veu by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 23
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VET
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BU of 8vet by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 1
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VEX
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BU of 8vex by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 28
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, GLYCEROL, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
3N9N
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BU of 3n9n by Molmil
ceKDM7A from C.elegans, complex with H3K4me3K9me2 peptide and NOG
Descriptor: FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ...
Authors:Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y.
Deposit date:2010-05-31
Release date:2010-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
5YU9
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BU of 5yu9 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib
Descriptor: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor
Authors:Yan, X.E, Yun, C.H.
Deposit date:2017-11-21
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
3N9L
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BU of 3n9l by Molmil
ceKDM7A from C.elegans, complex with H3K4me3 peptide and NOG
Descriptor: FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ...
Authors:Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y.
Deposit date:2010-05-31
Release date:2010-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
3N9P
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BU of 3n9p by Molmil
ceKDM7A from C.elegans, complex with H3K4me3K27me2 peptide and NOG
Descriptor: FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ...
Authors:Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y.
Deposit date:2010-05-31
Release date:2010-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.388 Å)
Cite:Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
3N9O
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BU of 3n9o by Molmil
ceKDM7A from C.elegans, complex with H3K4me3 peptide, H3K9me2 peptide and NOG
Descriptor: FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ...
Authors:Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y.
Deposit date:2010-05-31
Release date:2010-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.309 Å)
Cite:Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
6C7M
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BU of 6c7m by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 19 round 5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Kemp Eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-22
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
6C7V
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BU of 6c7v by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 22 round 5
Descriptor: Kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-23
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
8VEW
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BU of 8vew by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 24
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VEO
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BU of 8veo by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
5XFO
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BU of 5xfo by Molmil
Structure of the N-terminal domains of PHF1
Descriptor: PHD finger protein 1, ZINC ION
Authors:Wang, Z, Li, H.
Deposit date:2017-04-11
Release date:2017-09-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Polycomb-like proteins link the PRC2 complex to CpG islands
Nature, 549, 2017
6UKX
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BU of 6ukx by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 11
Descriptor: 4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-06
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKZ
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BU of 6ukz by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 6
Descriptor: 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-06
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
7JQQ
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BU of 7jqq by Molmil
The bacteriophage Phi-29 viral genome packaging motor assembly
Descriptor: DNA (60-MER), DNA packaging protein, MAGNESIUM ION, ...
Authors:White, M.A, Woodson, M, Morais, M.C.
Deposit date:2020-08-11
Release date:2021-05-19
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:A viral genome packaging motor transitions between cyclic and helical symmetry to translocate dsDNA.
Sci Adv, 7, 2021
6UKY
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BU of 6uky by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 12
Descriptor: 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-06
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKW
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BU of 6ukw by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 10
Descriptor: 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-06
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6C8B
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BU of 6c8b by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 23 round 6
Descriptor: Kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2018-01-24
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The evolution of multiple active site configurations in a designed enzyme.
Nat Commun, 9, 2018
5KHU
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BU of 5khu by Molmil
Model of human Anaphase-promoting complex/Cyclosome (APC15 deletion mutant), in complex with the Mitotic checkpoint complex (APC/C-CDC20-MCC) based on cryo EM data at 4.8 Angstrom resolution
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Yamaguchi, M, VanderLinden, R, Dube, P, Stark, H, Schulman, B.
Deposit date:2016-06-15
Release date:2016-09-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Cryo-EM of Mitotic Checkpoint Complex-Bound APC/C Reveals Reciprocal and Conformational Regulation of Ubiquitin Ligation.
Mol.Cell, 63, 2016

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PDB entries from 2024-09-04

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