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4A9H
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N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
分子名称: (2S)-1-ACETYL-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE, 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 2, ...
著者Chung, C.W, Bamborough, P.
登録日2011-11-26
公開日2012-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery.
J.Med.Chem., 55, 2012
8OU2
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BU of 8ou2 by Molmil
Crystal structure of the bromodomain of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to a potent inhibitor
分子名称: 1,2-ETHANEDIOL, 7-(1-cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
著者Balikci, E, Ni, X, Bountra, C, von Delft, F, Huber, K.
登録日2023-04-21
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the bromodomain of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to a potent inhibitor
To Be Published
4A9N
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BU of 4a9n by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-cyclopropyl-5-(3,5- dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN CONTAINING 2, DIMETHYL SULFOXIDE, ...
著者Chung, C, Bamborough, P.
登録日2011-11-26
公開日2012-02-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment-Based Discovery of Bromodomain Inhibitors Part 2: Optimization of Phenylisoxazole Sulfonamides.
J.Med.Chem., 55, 2012
4AKN
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N-Terminal Bromodomain of Human BRD2 With tbutyl-phenyl-amino- dimethyl-oxazolyl-quinoline-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 2, ...
著者Chung, C, Lamotte, Y, Donche, F, Bouillot, A, Mirguet, O.
登録日2012-02-26
公開日2012-07-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Identification of a Novel Series of Bet Family Bromodomain Inhibitors: Binding Mode and Profile of I-Bet151 (Gsk1210151A).
Bioorg.Med.Chem.Lett., 22, 2012
4A9L
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BU of 4a9l by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-DIMETHYL-6-(MORPHOLINE- 4-SULFONYL)-1,2,3,4-TETRAHYDROQUINAZOLIN-2-ONE
分子名称: 1,2-ETHANEDIOL, 1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one, BROMODOMAIN-CONTAINING PROTEIN 4, ...
著者Chung, C.W, Bamborough, P.
登録日2011-11-26
公開日2012-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery.
J.Med.Chem., 55, 2012
4A9O
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BU of 4a9o by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5 ethyl-3-methyl-4-phenyl-1, 2-oxazole
分子名称: 1,2-ETHANEDIOL, 5-ETHYL-3-METHYL-4-PHENYL-1,2-OXAZOLE, BROMODOMAIN CONTAINING 2, ...
著者Chung, C.W, Bamborough, P.
登録日2011-11-26
公開日2012-02-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Fragment-Based Discovery of Bromodomain Inhibitors Part 2: Optimization of Phenylisoxazole Sulfonamides.
J.Med.Chem., 55, 2012
4A9F
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BU of 4a9f by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-METHYLPYRROLIDIN-2-ONE
分子名称: 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, BROMODOMAIN-CONTAINING PROTEIN 2, ...
著者Chung, C.W, Bamborough, P.
登録日2011-11-26
公開日2012-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery.
J.Med.Chem., 55, 2012
4ALH
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BU of 4alh by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3,5 dimethyl-4-phenyl-1,2- oxazole
分子名称: 1,2-ETHANEDIOL, 3,5 DIMETHYL-4-PHENYL-1,2-OXAZOLE, BROMODOMAIN CONTAINING 2, ...
著者Chung, C.W, Bamborough, P.
登録日2012-03-03
公開日2012-04-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Fragment-Based Discovery of Bromodomain Inhibitors Part 2: Optimization of Phenylisoxazole Sulfonamides.
J.Med.Chem., 55, 2012
4A9J
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BU of 4a9j by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-(4-hydroxyphenyl) acetamide
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN CONTAINING 2, N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL), ...
著者Chung, C.W, Bamborough, P.
登録日2011-11-26
公開日2012-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery.
J.Med.Chem., 55, 2012
8PIQ
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BU of 8piq by Molmil
Crystal Structure of BRD4-BD1 with BI894999
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
著者Kessler, D.
登録日2023-06-22
公開日2023-07-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.117 Å)
主引用文献Crystal Structure of BRD4-BD1 with BI894999
To Be Published
8F6G
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BU of 8f6g by Molmil
Crystal structure of BPTF bromodomain in complex with BZ2
分子名称: 6-[4-(2-aminoethyl)anilino]-5-chloro-3-methylpyrimidin-4(3H)-one, Nucleosome-remodeling factor subunit BPTF
著者Nithianantham, S, Fischer, M.
登録日2022-11-16
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of BPTF bromodomain in complex with BZ2
To Be Published
4A9E
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BU of 4a9e by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-methyl-1,2,3,4- tetrahydroquinazolin-2-one
分子名称: 1,2-ETHANEDIOL, 3-methyl-3,4-dihydroquinazolin-2(1H)-one, BROMODOMAIN-CONTAINING PROTEIN 2, ...
著者Chung, C, Bamborough, P.
登録日2011-11-26
公開日2012-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery.
J.Med.Chem., 55, 2012
8PX2
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BU of 8px2 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
分子名称: 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2
著者Chung, C.W.
登録日2023-07-22
公開日2023-10-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.622 Å)
主引用文献Structure-Guided Design of a Domain-Selective Bromodomain and Extra Terminal N-Terminal Bromodomain Chemical Probe.
J.Med.Chem., 66, 2023
8PXM
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BU of 8pxm by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (1R,1'R)-7,7'-(pentane-1,5-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one)
分子名称: (1R)-7-[5-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]pentoxy]-1,3-dimethyl-1H-3-benzazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Chung, C.W.
登録日2023-07-23
公開日2023-10-04
実験手法X-RAY DIFFRACTION (2.378 Å)
主引用文献Design and Characterization of 1,3-Dihydro-2 H -benzo[ d ]azepin-2-ones as Rule-of-5 Compliant Bivalent BET Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8PXA
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BU of 8pxa by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (S)-5-(1-((1-(1-isopropylpiperidine-4-carbonyl)piperidin-3-yl)methyl)-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,3-dimethyl-5-[1-[[(3~{S})-1-(1-propan-2-ylpiperidin-4-yl)carbonylpiperidin-3-yl]methyl]benzimidazol-2-yl]pyridin-2-one, Bromodomain-containing protein 4
著者Chung, C.
登録日2023-07-22
公開日2023-10-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-Guided Design of a Domain-Selective Bromodomain and Extra Terminal N-Terminal Bromodomain Chemical Probe.
J.Med.Chem., 66, 2023
8PX8
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BU of 8px8 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (S)-5-(1-((1-acetylpiperidin-3-yl)methyl)-5-bromo-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[5-bromanyl-1-[[(3~{S})-1-ethanoylpiperidin-3-yl]methyl]benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, ...
著者Chung, C.W.
登録日2023-07-22
公開日2023-10-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Structure-Guided Design of a Domain-Selective Bromodomain and Extra Terminal N-Terminal Bromodomain Chemical Probe.
J.Med.Chem., 66, 2023
8PXN
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BU of 8pxn by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (1R,1'R)-7,7'-(ethane-1,2-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one)
分子名称: (1R)-7-[2-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1H-3-benzazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Chung, C.
登録日2023-07-23
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Design and Characterization of 1,3-Dihydro-2 H -benzo[ d ]azepin-2-ones as Rule-of-5 Compliant Bivalent BET Inhibitors.
Acs Med.Chem.Lett., 14, 2023
4BJX
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BU of 4bjx by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH GSK1324726A (I-BET726)
分子名称: 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 4
著者Chung, C.
登録日2013-04-20
公開日2013-10-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Bet Inhibition Silences Expression of Mycn and Bcl2 and Induces Cytotoxicity in Neuroblastoma Tumor Models.
Plos One, 8, 2013
4CFK
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BU of 4cfk by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY294002
分子名称: 1,2-ETHANEDIOL, 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, BRD4 PROTEIN, ...
著者Chung, C, Dittmann, A, Drewes, G.
登録日2013-11-18
公開日2014-01-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains.
Acs Chem.Biol., 9, 2014
2D82
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BU of 2d82 by Molmil
Target Structure-Based Discovery of Small Molecules that Block Human p53 and CREB Binding Protein (CBP) Association
分子名称: 9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE, CREB-binding protein
著者Sachchidanand, Resnick-Silverman, L, Yan, S, Mujtaba, S, Liu, W.J, Zeng, L, Manfredi, J.J, Zhou, M.M.
登録日2005-12-01
公開日2006-04-04
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Target structure-based discovery of small molecules that block human p53 and CREB binding protein association
Chem.Biol., 13, 2006
2D9E
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BU of 2d9e by Molmil
Solution structure of the Bromodomain of Peregrin
分子名称: Peregrin
著者Hatta, R, Hayashi, F, Izumi, K, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-12-09
公開日2006-06-09
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the Bromodomain of Peregrin
To be published
2DAT
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BU of 2dat by Molmil
Solution structure of the Bromodomain of human SWI/SNF related matrix associated actin dependent regulator of cromatin subfamily A member 2
分子名称: Possible global transcription activator SNF2L2
著者Yoneyama, M, Kigawa, T, Saito, K, Tochio, N, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-12-14
公開日2007-01-02
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the Bromodomain of human SWI/SNF related matrix associated actin dependent regulator of cromatin subfamily A member 2
To be Published
2DWW
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BU of 2dww by Molmil
Crystal structure of Bromodomain-containing protein 4
分子名称: Bromodomain-containing protein 4, CHLORIDE ION
著者Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-08-21
公開日2007-08-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Bromodomain-containing protein 4
To be Published
2DVV
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BU of 2dvv by Molmil
Crystal structure of the second bromodomain of the human Brd2 protein
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing protein 2
著者Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-08-01
公開日2007-08-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the second bromodomain of the human Brd2 protein
To be Published
2E3K
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BU of 2e3k by Molmil
Crystal structure of the human Brd2 second bromodomain in complexed with the acetylated histone H4 peptide
分子名称: 15-mer peptide from Histone H4, Bromodomain-containing protein 2
著者Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-11-27
公開日2007-12-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for diacetylated histone H4 tail recognition by the second bromodomain of human BRD2
To be Published

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件を2024-09-25に公開中

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