5DLX
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![BU of 5dlx by Molmil](/molmil-images/mine/5dlx) | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperidine-4-carboxamide | Descriptor: | Bromodomain-containing protein 4, N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide | Authors: | Raux, B, Rebuffet, E, Betzi, S, Morelli, X. | Deposit date: | 2015-09-07 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery. Acs Chem.Biol., 11, 2016
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6G0H
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![BU of 6g0h by Molmil](/molmil-images/mine/6g0h) | |
5XI2
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![BU of 5xi2 by Molmil](/molmil-images/mine/5xi2) | BRD4 bound with compound Bdi2 | Descriptor: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | Authors: | Xiong, B, Cao, D, Li, Y. | Deposit date: | 2017-04-25 | Release date: | 2018-05-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.909 Å) | Cite: | BRD4 bound with compound Bdi2 To Be Published
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3UVX
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![BU of 3uvx by Molmil](/molmil-images/mine/3uvx) | Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K12acK16ac) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, FORMIC ACID, ... | Authors: | Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-11-30 | Release date: | 2012-01-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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5Y1Y
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![BU of 5y1y by Molmil](/molmil-images/mine/5y1y) | |
4E96
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![BU of 4e96 by Molmil](/molmil-images/mine/4e96) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1 | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Fish, P, Bunnage, M, Owen, D, Knapp, S, Cook, A, Structural Genomics Consortium (SGC) | Deposit date: | 2012-03-20 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit. J.Med.Chem., 55, 2012
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7B1T
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![BU of 7b1t by Molmil](/molmil-images/mine/7b1t) | Crystal structure of BRD4(1) in complex with the inhibitor MPM6 | Descriptor: | 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE | Authors: | Huegle, M. | Deposit date: | 2020-11-25 | Release date: | 2022-06-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | A novel pan-selective bromodomain inhibitor for epigenetic drug design. Eur.J.Med.Chem., 249, 2023
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8B5B
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![BU of 8b5b by Molmil](/molmil-images/mine/8b5b) | Human BRD4 bromdomain 1 in complex with a H4 peptide containing acetyl lysine and ApmTri (H4K5acK8ApmTri) | Descriptor: | Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, H4K5acK8ApmTri | Authors: | Braun, M.B, Bartlick, N, Stehle, T. | Deposit date: | 2022-09-22 | Release date: | 2023-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family. Angew.Chem.Int.Ed.Engl., 62, 2023
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4BW2
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![BU of 4bw2 by Molmil](/molmil-images/mine/4bw2) | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | Descriptor: | 1,2-ETHANEDIOL, 4-((2-(TERT-BUTYL)PHENYL)AMINO)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid, 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Naphthyridines as Novel Bet Family Bromodomain Inhibitors. Chemmedchem, 9, 2014
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8CV4
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![BU of 8cv4 by Molmil](/molmil-images/mine/8cv4) | Peptide 4.2C in complex with BRD4.2 | Descriptor: | ACETYL GROUP, AMINO GROUP, BRD4 protein, ... | Authors: | Franck, C, Mackay, J.P. | Deposit date: | 2022-05-18 | Release date: | 2023-05-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins. Structure, 31, 2023
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5D3T
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![BU of 5d3t by Molmil](/molmil-images/mine/5d3t) | First bromodomain of BRD4 bound to inhibitor XD47 | Descriptor: | 1,2-ETHANEDIOL, 4-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ... | Authors: | Wohlwend, D, Huegle, M. | Deposit date: | 2015-08-06 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5UEV
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![BU of 5uev by Molmil](/molmil-images/mine/5uev) | BRD4_BD2_A-556343 | Descriptor: | 1-[5-(2-aminophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one, Bromodomain-containing protein 4 | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Complex structure of BRD4_BD2_A-556343 To Be Published
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5OVB
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![BU of 5ovb by Molmil](/molmil-images/mine/5ovb) | Crystal structure of human BRD4(1) bromodomain in complex with DR46 | Descriptor: | Bromodomain-containing protein 4, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2017-08-28 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). Acs Cent.Sci., 4, 2018
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6U8M
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![BU of 6u8m by Molmil](/molmil-images/mine/6u8m) | BRD4-BD1 in complex with the cyclic peptide 3.2_1 | Descriptor: | AMINO GROUP, Bromodomain-containing protein 4, cyclic peptide 3.2_1 | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | Deposit date: | 2019-09-05 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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4LYW
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![BU of 4lyw by Molmil](/molmil-images/mine/4lyw) | Crystal Structure of BRD4(1) bound to inhibitor XD14 | Descriptor: | 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Gerhardt, S, Einsle, O. | Deposit date: | 2013-07-31 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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5D3P
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![BU of 5d3p by Molmil](/molmil-images/mine/5d3p) | First bromodomain of BRD4 bound to inhibitor XD41 | Descriptor: | 1-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-1H-indole-6-sulfonamide, Bromodomain-containing protein 4, NICKEL (II) ION | Authors: | Wohlwend, D, Huegle, M. | Deposit date: | 2015-08-06 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5HQ6
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![BU of 5hq6 by Molmil](/molmil-images/mine/5hq6) | Crystal structure of fragment bound with Brd4 | Descriptor: | (2R)-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one, Bromodomain-containing protein 4 | Authors: | Chen, T.T, Xu, Y.C. | Deposit date: | 2016-01-21 | Release date: | 2017-01-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of fragment bound with Brd4 to be published
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6X7B
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![BU of 6x7b by Molmil](/molmil-images/mine/6x7b) | BRD4 Bromodomain 1 in complex with multi-action inhibitor SRX3212P | Descriptor: | 7-[7-oxo-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide, Bromodomain-containing protein 4 | Authors: | Vann, K.R, Kutateladze, T.G. | Deposit date: | 2020-05-29 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Design of thienopyranone-based BET inhibitors that bind multiple synthetic lethality targets. Sci Rep, 10, 2020
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8PXN
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![BU of 8pxn by Molmil](/molmil-images/mine/8pxn) | 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) | Descriptor: | (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 | Authors: | Chung, C. | Deposit date: | 2023-07-23 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | 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
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3SVF
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![BU of 3svf by Molmil](/molmil-images/mine/3svf) | Crystal Structure of the first bromodomain of human BRD4 in complex with a dihydro-quinazolin ligand | Descriptor: | (4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-07-12 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.975 Å) | Cite: | Crystal Structure of the first bromodomain of human BRD4 in complex with a dihydro-quinazolin ligand TO BE PUBLISHED
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5XHY
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![BU of 5xhy by Molmil](/molmil-images/mine/5xhy) | BRD4 bound with compound Bdi1 | Descriptor: | Bromodomain-containing protein 4, ~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide | Authors: | Xiong, B, Cao, D, Li, Y. | Deposit date: | 2017-04-25 | Release date: | 2018-05-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.976 Å) | Cite: | BRD4 bound with compound Bdi1 To Be Published
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6ZCI
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![BU of 6zci by Molmil](/molmil-images/mine/6zci) | Crystal structure of BRD4-BD1 in complex with NVS-BET-1 | Descriptor: | (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, Bromodomain-containing protein 4 | Authors: | Faller, M. | Deposit date: | 2020-06-11 | Release date: | 2020-12-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.976 Å) | Cite: | BET bromodomain inhibitors regulate keratinocyte plasticity. Nat.Chem.Biol., 17, 2021
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6LG6
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![BU of 6lg6 by Molmil](/molmil-images/mine/6lg6) | |
7W3D
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![BU of 7w3d by Molmil](/molmil-images/mine/7w3d) | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine | Descriptor: | Bromodomain-containing protein 4, N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine | Authors: | Park, T.H, Lee, B.I. | Deposit date: | 2021-11-25 | Release date: | 2022-09-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of BET specific bromodomain inhibitors with a novel scaffold. Bioorg.Med.Chem., 72, 2022
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5CRM
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![BU of 5crm by Molmil](/molmil-images/mine/5crm) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-07-23 | Release date: | 2016-01-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | 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
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