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5CP5
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BU of 5cp5 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: 1,2-ETHANEDIOL, 1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide, Bromodomain-containing protein 4, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-07-21
公開日2016-01-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CS8
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BU of 5cs8 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-07-23
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5D0C
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BU of 5d0c by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-08-03
公開日2016-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CTL
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BU of 5ctl by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: Bromodomain-containing protein 4, N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-07-24
公開日2016-01-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CRM
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BU of 5crm by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-07-23
公開日2016-01-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CQT
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BU of 5cqt by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: Bromodomain-containing protein 4, N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-07-22
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CY9
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BU of 5cy9 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-07-30
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CRZ
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BU of 5crz by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide, Bromodomain-containing protein 4, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-07-23
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5DX4
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BU of 5dx4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: 1,2-ETHANEDIOL, 5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide, Bromodomain-containing protein 4, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-09-23
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
1FOX
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BU of 1fox by Molmil
NMR STRUCTURE OF L11-C76, THE C-TERMINAL DOMAIN OF 50S RIBOSOMAL PROTEIN L11, 33 STRUCTURES
分子名称: L11-C76
著者Markus, M.A, Hinck, A.P, Huang, S, Draper, D.E, Torchia, D.A.
登録日1996-09-13
公開日1997-03-12
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献High resolution solution structure of ribosomal protein L11-C76, a helical protein with a flexible loop that becomes structured upon binding to RNA.
Nat.Struct.Biol., 4, 1997
1FOW
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BU of 1fow by Molmil
NMR STRUCTURE OF L11-C76, THE C-TERMINAL DOMAIN OF 50S RIBOSOMAL PROTEIN L11, MINIMIZED AVERAGE STRUCTURE
分子名称: L11-C76
著者Markus, M.A, Hinck, A.P, Huang, S, Draper, D.E, Torchia, D.A.
登録日1996-09-13
公開日1997-03-12
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献High resolution solution structure of ribosomal protein L11-C76, a helical protein with a flexible loop that becomes structured upon binding to RNA.
Nat.Struct.Biol., 4, 1997
8SUG
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BU of 8sug by Molmil
Cryo-EM structure of the wild type P. aeruginosa flagellar filament
分子名称: B-type flagellin
著者Kreutzberger, M.A, Nedeljkovic, M, Egelman, E.H, Sundberg, E.J.
登録日2023-05-12
公開日2023-06-14
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献An unbroken network of interactions connecting flagellin domains is required for motility in viscous environments.
Plos Pathog., 19, 2023
7V97
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BU of 7v97 by Molmil
Arsenic-bound p53 DNA-binding domain mutant V272M
分子名称: ARSENIC, Cellular tumor antigen p53, ZINC ION
著者Lu, M, Xing, Y.F, Wang, Z.Y, Ni, Y, Song, H.X.
登録日2021-08-24
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Diverse rescue potencies of p53 mutations to ATO are predetermined by intrinsic mutational properties.
Sci Transl Med, 15, 2023
2HV6
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BU of 2hv6 by Molmil
Crystal structure of the phosphotyrosyl phosphatase activator
分子名称: MAGNESIUM ION, Protein phosphatase 2A, regulatory subunit B
著者Chao, Y, Jeffrey, P.D, Shi, Y.
登録日2006-07-27
公開日2006-08-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and mechanism of the phosphotyrosyl phosphatase activator.
Mol.Cell, 23, 2006
2HV7
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BU of 2hv7 by Molmil
Crystal structure of phosphotyrosyl phosphatase activator bound to ATPgammaS
分子名称: ADENOSINE-5'-DIPHOSPHATE, Protein phosphatase 2A, regulatory subunit B
著者Chao, Y, Jeffrey, J.D, Shi, Y.
登録日2006-07-27
公開日2006-08-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and mechanism of the phosphotyrosyl phosphatase activator.
Mol.Cell, 23, 2006
7KNX
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BU of 7knx by Molmil
Crystal structure of SND1 in complex with C-26-A6
分子名称: 5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1, ...
著者Kang, Y.
登録日2020-11-06
公開日2021-12-08
最終更新日2022-02-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis.
Nat Cancer, 3, 2022
7KNW
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BU of 7knw by Molmil
Crystal structure of SND1 in complex with C-26-A2
分子名称: 5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1
著者Kang, Y.
登録日2020-11-06
公開日2021-12-08
最終更新日2022-02-16
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis.
Nat Cancer, 3, 2022
1MMS
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BU of 1mms by Molmil
Crystal structure of the ribosomal PROTEIN L11-RNA complex
分子名称: 23S RIBOSOMAL RNA, CADMIUM ION, MAGNESIUM ION, ...
著者Wimberly, B.T, Guymon, R, Mccutcheon, J.P, White, S.W, Ramakrishnan, V.
登録日1999-04-14
公開日2000-04-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献A detailed view of a ribosomal active site: the structure of the L11-RNA complex.
Cell(Cambridge,Mass.), 97, 1999
8ERM
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BU of 8erm by Molmil
Crystal structure of FliC D2/D3 domains from Pseudomonas aeruginosa PAO1
分子名称: B-type flagellin, GLYCEROL, SULFATE ION
著者Nedeljkovic, M, Bonsor, D.A, Postel, S, Sundberg, E.J.
登録日2022-10-12
公開日2023-05-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.475 Å)
主引用文献An unbroken network of interactions connecting flagellin domains is required for motility in viscous environments.
Plos Pathog., 19, 2023
7CUT
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BU of 7cut by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with Z-VAD-FMK
分子名称: 3C protein, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Lu, M, Yang, H.T, Wang, Z.Y, Zhao, Y, Xing, Y.F.
登録日2020-08-24
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 M pro .
Signal Transduct Target Ther, 6, 2021
7CUU
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BU of 7cuu by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with MG132
分子名称: 3C protein, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Lu, M, Yang, H.T, Wang, Z.Y, Zhao, Y, Xing, Y.F.
登録日2020-08-24
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 M pro .
Signal Transduct Target Ther, 6, 2021
3HFG
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BU of 3hfg by Molmil
Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Sulfonyl-piperazine Inhibitor
分子名称: (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bard, J, Svenson, K.
登録日2009-05-11
公開日2009-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model.
J.Med.Chem., 52, 2009
3H6K
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BU of 3h6k by Molmil
Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Ortho-chlro-sulfonyl-piperazine Inhibitor
分子名称: 3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bard, J, Svenson, K.
登録日2009-04-23
公開日2009-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model.
J.Med.Chem., 52, 2009
7K1S
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BU of 7k1s by Molmil
The N-terminus of varicella-zoster virus glycoprotein B has a functional role in fusion.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Oliver, S.L.
登録日2020-09-08
公開日2021-01-20
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献The N-terminus of varicella-zoster virus glycoprotein B has a functional role in fusion.
Plos Pathog., 17, 2021
6VN1
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BU of 6vn1 by Molmil
A 2.8 Angstrom Cryo-EM Structure of a Glycoprotein B-Neutralizing Antibody Complex Reveals a Critical Domain for Herpesvirus Fusion Initiation
分子名称: Envelope glycoprotein B, Human monoclonal antibody 93k variable heavy chain, Human monoclonal antibody 93k variable light chain
著者Oliver, S.L.
登録日2020-01-29
公開日2020-07-15
最終更新日2020-09-02
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献A glycoprotein B-neutralizing antibody structure at 2.8 angstrom uncovers a critical domain for herpesvirus fusion initiation.
Nat Commun, 11, 2020

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件を2024-05-08に公開中

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