4ALG
 
 | | N-Terminal Bromodomain of Human BRD2 With IBET-151 | | Descriptor: | 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, ACETATE ION, BROMODOMAIN-CONTAINING PROTEIN 2, ... | | Authors: | Chung, C, Lamotte, Y, Donche, F, Bouillot, A, Mirguet, O. | | Deposit date: | 2012-03-03 | | Release date: | 2012-07-04 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification of a Novel Series of Bet Family Bromodomain Inhibitors: Binding Mode and Profile of I-Bet151 (Gsk1210151A).
Bioorg.Med.Chem.Lett., 22, 2012
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7TAB
 | | G-925 bound to the SMARCA4 (BRG1) Bromodomain | | Descriptor: | 2-(6-amino-5-phenylpyridazin-3-yl)phenol, Isoform 4 of Transcription activator BRG1 | | Authors: | Tang, Y, Poy, F, Taylor, A.M, Cochran, A.G, Bellon, S.F. | | Deposit date: | 2021-12-20 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1.
J.Med.Chem., 65, 2022
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7T2I
 | | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-588 | | Descriptor: | 1,2-ETHANEDIOL, 4-(6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine, DIMETHYL SULFOXIDE, ... | | Authors: | Karim, M.R, Schonbrunn, E. | | Deposit date: | 2021-12-04 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-588
To Be Published
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4A9N
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-cyclopropyl-5-(3,5- dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide | | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN CONTAINING 2, DIMETHYL SULFOXIDE, ... | | Authors: | Chung, C, Bamborough, P. | | Deposit date: | 2011-11-26 | | Release date: | 2012-02-08 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment-Based Discovery of Bromodomain Inhibitors Part 2: Optimization of Phenylisoxazole Sulfonamides.
J.Med.Chem., 55, 2012
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7T36
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4A9K
 | | BROMODOMAIN OF HUMAN CREBBP WITH N-(4-hydroxyphenyl)acetamide | | Descriptor: | 1,2-ETHANEDIOL, CREB-BINDING PROTEIN, N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL), ... | | Authors: | Chung, C.W, Bamborough, P. | | Deposit date: | 2011-11-26 | | Release date: | 2012-01-11 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery.
J.Med.Chem., 55, 2012
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4A9O
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5 ethyl-3-methyl-4-phenyl-1, 2-oxazole | | Descriptor: | 1,2-ETHANEDIOL, 5-ETHYL-3-METHYL-4-PHENYL-1,2-OXAZOLE, BROMODOMAIN CONTAINING 2, ... | | Authors: | Chung, C.W, Bamborough, P. | | Deposit date: | 2011-11-26 | | Release date: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Fragment-Based Discovery of Bromodomain Inhibitors Part 2: Optimization of Phenylisoxazole Sulfonamides.
J.Med.Chem., 55, 2012
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4A9I
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-methyl-1,2,3,4- tetrahydroquinazolin-2-one | | Descriptor: | 1,2-ETHANEDIOL, 1-[1-(PYRIDIN-2-YL)INDOLIZIN-3-YL]ETHAN-1-ONE, BROMODOMAIN CONTAINING 2, ... | | Authors: | Chung, C.W, Bamborough, P. | | Deposit date: | 2011-11-26 | | Release date: | 2012-01-11 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery.
J.Med.Chem., 55, 2012
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4AKN
 | | N-Terminal Bromodomain of Human BRD2 With tbutyl-phenyl-amino- dimethyl-oxazolyl-quinoline-carboxylic acid | | Descriptor: | 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, ... | | Authors: | Chung, C, Lamotte, Y, Donche, F, Bouillot, A, Mirguet, O. | | Deposit date: | 2012-02-26 | | Release date: | 2012-07-04 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Identification of a Novel Series of Bet Family Bromodomain Inhibitors: Binding Mode and Profile of I-Bet151 (Gsk1210151A).
Bioorg.Med.Chem.Lett., 22, 2012
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4A9H
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one | | Descriptor: | (2S)-1-ACETYL-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE, 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 2, ... | | Authors: | Chung, C.W, Bamborough, P. | | Deposit date: | 2011-11-26 | | Release date: | 2012-01-11 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery.
J.Med.Chem., 55, 2012
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4A9F
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4A9L
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-DIMETHYL-6-(MORPHOLINE- 4-SULFONYL)-1,2,3,4-TETRAHYDROQUINAZOLIN-2-ONE | | Descriptor: | 1,2-ETHANEDIOL, 1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one, BROMODOMAIN-CONTAINING PROTEIN 4, ... | | Authors: | Chung, C.W, Bamborough, P. | | Deposit date: | 2011-11-26 | | Release date: | 2012-01-11 | | Last modified: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery.
J.Med.Chem., 55, 2012
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4ALH
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3,5 dimethyl-4-phenyl-1,2- oxazole | | Descriptor: | 1,2-ETHANEDIOL, 3,5 DIMETHYL-4-PHENYL-1,2-OXAZOLE, BROMODOMAIN CONTAINING 2, ... | | Authors: | Chung, C.W, Bamborough, P. | | Deposit date: | 2012-03-03 | | Release date: | 2012-04-11 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Fragment-Based Discovery of Bromodomain Inhibitors Part 2: Optimization of Phenylisoxazole Sulfonamides.
J.Med.Chem., 55, 2012
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7T3F
 | | Development of BRD4 inhibitors as arsenicals antidotes | | Descriptor: | 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, GLYCEROL | | Authors: | Wu, M, Yatchang, M, Mathew, B, Zhai, L, Ruiz, P, Bostwick, R, Augelli-Szafran, C.E, Suto, M.J. | | Deposit date: | 2021-12-07 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Development of BRD4 inhibitors as anti-inflammatory agents and antidotes for arsenicals.
Bioorg.Med.Chem.Lett., 64, 2022
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7TO7
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7TOA
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7TO8
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7TO9
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4BJX
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH GSK1324726A (I-BET726) | | Descriptor: | 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Chung, C. | | Deposit date: | 2013-04-20 | | Release date: | 2013-10-02 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Bet Inhibition Silences Expression of Mycn and Bcl2 and Induces Cytotoxicity in Neuroblastoma Tumor Models.
Plos One, 8, 2013
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7UBO
 | | Crystal Structure of the first bromodomain of human BRDT in complex with the inhibitor CCD-956 | | Descriptor: | Bromodomain testis-specific protein, DIMETHYL SULFOXIDE, N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide | | Authors: | Ta, H.M, Modukuri, R.K, Yu, Z, Tan, Z, Matzuk, M.M, Kim, C. | | Deposit date: | 2022-03-15 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Discovery of potent BET bromodomain 1 stereoselective inhibitors using DNA-encoded chemical library selections.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7TUQ
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7TV0
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7UG5
 | | Second bromodomain of BRD3 liganded with BMS-536924 | | Descriptor: | (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 3 | | Authors: | Schonbrunn, E, Bikowitz, M. | | Deposit date: | 2022-03-23 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
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4BW4
 | | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | | Descriptor: | 7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | | Deposit date: | 2013-06-29 | | Release date: | 2013-09-11 | | Last modified: | 2014-03-19 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
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7UGE
 | | Bromodomain of CBP liganded with BMS-536924 | | Descriptor: | (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, Histone acetyltransferase | | Authors: | Schonbrunn, E, Bikowitz, M. | | Deposit date: | 2022-03-24 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
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