4LZS
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![BU of 4lzs by Molmil](/molmil-images/mine/4lzs) | Crystal Structure of BRD4(1) bound to inhibitor XD46 | Descriptor: | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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4MR3
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![BU of 4mr3 by Molmil](/molmil-images/mine/4mr3) | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-OH) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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4LYS
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![BU of 4lys by Molmil](/molmil-images/mine/4lys) | Crystal Structure of BRD4(1) bound to Colchiceine | Descriptor: | Bromodomain-containing protein 4, N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, SODIUM ION | Authors: | Wohlwend, D, Gerhardt, S, Einsle, O. | Deposit date: | 2013-07-31 | Release date: | 2014-01-15 | Last modified: | 2014-01-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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4MR4
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![BU of 4mr4 by Molmil](/molmil-images/mine/4mr4) | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-208) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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7ZNT
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![BU of 7znt by Molmil](/molmil-images/mine/7znt) | CRYSTAL STRUCTURE OF AT7 IN COMPLEX WITH THE SECOND BROMODOMAIN OF HUMAN BRD4 AND PVHL:ELONGINC:ELONGINB | Descriptor: | (2~{S},4~{R})-1-[(2~{R})-3-[6-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]hexylsulfanyl]-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | Authors: | Hughes, S.J, Casement, R, Ciulli, A. | Deposit date: | 2022-04-22 | Release date: | 2022-09-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Functional E3 ligase hotspots and resistance mechanisms to small-molecule degraders. Nat.Chem.Biol., 19, 2023
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5VOM
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![BU of 5vom by Molmil](/molmil-images/mine/5vom) | Benzopiperazine BET bromodomain inhibitor in complex with BD1 of Brd4 | Descriptor: | 3-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-1,2,3,4-tetrahydroquinoxalin-6-yl]-N-methylbenzamide, Bromodomain-containing protein 4 | Authors: | Toms, A.V, Herbertz, T. | Deposit date: | 2017-05-03 | Release date: | 2017-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Design and Optimization of Benzopiperazines as Potent Inhibitors of BET Bromodomains. ACS Med Chem Lett, 8, 2017
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7MCF
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![BU of 7mcf by Molmil](/molmil-images/mine/7mcf) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | Descriptor: | 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4 | Authors: | Sheriff, S. | Deposit date: | 2021-04-02 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Development of BET inhibitors as potential treatments for cancer: A search for structural diversity. Bioorg.Med.Chem.Lett., 44, 2021
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7MCE
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![BU of 7mce by Molmil](/molmil-images/mine/7mce) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol | Descriptor: | 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol, Bromodomain-containing protein 4 | Authors: | Sheriff, S. | Deposit date: | 2021-04-02 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype. Bioorg.Med.Chem.Lett., 51, 2021
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6DMJ
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![BU of 6dmj by Molmil](/molmil-images/mine/6dmj) | A multiconformer ligand model of inhibitor 53W bound to CREB binding protein bromodomain | Descriptor: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4 | Authors: | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | Deposit date: | 2018-06-05 | Release date: | 2018-12-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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7M16
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![BU of 7m16 by Molmil](/molmil-images/mine/7m16) | Triazole-based BET family bromodomain inhibitor bound to BRD4(D1) | Descriptor: | 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide, Bromodomain-containing protein 4 | Authors: | Johnson, J.A, Pomerantz, W. | Deposit date: | 2021-03-12 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Systematically Mitigating the p38alpha Activity of Triazole-based BET Inhibitors ACS Med. Chem. Lett., 10, 2019
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7RJR
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![BU of 7rjr by Molmil](/molmil-images/mine/7rjr) | Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with BCLTF1 | Descriptor: | 1,2-ETHANEDIOL, Bcl-2-associated transcription factor 1, Bromodomain-containing protein 4, ... | Authors: | Fedorov, E, Islam, K, Ghosh, A. | Deposit date: | 2021-07-21 | Release date: | 2022-08-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization To Be Published
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5O7I
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![BU of 5o7i by Molmil](/molmil-images/mine/5o7i) | ERK5 in complex with a pyrrole inhibitor | Descriptor: | 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 7 | Authors: | Tucker, J.A, Heptinstall, A, Myers, S. | Deposit date: | 2017-06-08 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4. Eur.J.Med.Chem., 178, 2019
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5IWG
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![BU of 5iwg by Molmil](/molmil-images/mine/5iwg) | HDAC2 WITH LIGAND BRD4884 | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Steinbacher, S. | Deposit date: | 2016-03-22 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors. Bioorg.Med.Chem., 24, 2016
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2DWW
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![BU of 2dww by Molmil](/molmil-images/mine/2dww) | |
2JNS
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![BU of 2jns by Molmil](/molmil-images/mine/2jns) | |
4WHW
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![BU of 4whw by Molmil](/molmil-images/mine/4whw) | Direct photocapture of bromodomains using tropolone chemical probes | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, Bromodomain-containing protein 4 | Authors: | Hett, E.C, Piatnitski Chekler, E.L, Basak, A, Bonin, P.D, Denny, R.A, Flick, A.C, Geoghegan, K.F, Liu, S, Pletcher, M.T, Robinson, R.P, Sahasrabudhe, P, Salter, S, Stock, I.A, Jones, L.H. | Deposit date: | 2014-09-23 | Release date: | 2015-10-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.345 Å) | Cite: | Direct photocapture of bromodomains using tropolone chemical probes To Be Published
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7EIK
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![BU of 7eik by Molmil](/molmil-images/mine/7eik) | RD4-BD1 in complex with LT-872-297 | Descriptor: | 1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4 | Authors: | Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | RD4-BD1 in complex with LT-872-297 To Be Published
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7Q3F
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![BU of 7q3f by Molmil](/molmil-images/mine/7q3f) | Bromodomain-containing 4 BD1 in complex with the inhibitor CRCM5484 | Descriptor: | 2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{N}-(2-methylpyridin-3-yl)ethanamide, Bromodomain-containing protein 4 | Authors: | Carrasco, K, Betzi, S, Morelli, X. | Deposit date: | 2021-10-27 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | CRCM5484: A BET-BDII Selective Compound with Differential Anti-leukemic Drug Modulation J.Med.Chem., 65, 2022
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5CFW
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![BU of 5cfw by Molmil](/molmil-images/mine/5cfw) | |
2YEK
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![BU of 2yek by Molmil](/molmil-images/mine/2yek) | |
6TQ1
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8YHS
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![BU of 8yhs by Molmil](/molmil-images/mine/8yhs) | The Crystal Structure of BRDT from Biortus. | Descriptor: | 1,2-ETHANEDIOL, 2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one, Bromodomain testis-specific protein | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Lu, Y. | Deposit date: | 2024-02-28 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Crystal Structure of BRDT from Biortus. To Be Published
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6FFE
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6FFG
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![BU of 6ffg by Molmil](/molmil-images/mine/6ffg) | Human BRD2 C-terminal bromodomain with (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone | Descriptor: | (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Chung, C. | Deposit date: | 2018-01-07 | Release date: | 2019-01-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain. J.Med.Chem., 61, 2018
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6FFF
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![BU of 6fff by Molmil](/molmil-images/mine/6fff) | Human BRD2 C-terminal bromodomain with (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide | Descriptor: | (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Chung, C. | Deposit date: | 2018-01-07 | Release date: | 2019-01-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain. J.Med.Chem., 61, 2018
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