7LAI
| Crystal structure of the first bromodomain (BD1) of human BRD2 bound to BI2536 | Descriptor: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 2 | Authors: | Karim, M.R, Bikowitz, M, Schonbrunn, E. | Deposit date: | 2021-01-06 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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7LAK
| Crystal structure of the first bromodomain (BD1) of human BRD2 bound to volasertib | Descriptor: | Bromodomain-containing protein 2, N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide | Authors: | Karim, M.R, Bikowitz, M, Chan, A, Schonbrunn, E. | Deposit date: | 2021-01-06 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.831 Å) | Cite: | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors. J.Med.Chem., 64, 2021
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4Z93
| BRD4 bromodomain 2 in complex with gamma-carboline-containing compound, number 18. | Descriptor: | 1,2-ETHANEDIOL, 1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole, Bromodomain-containing protein 4 | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2015-04-09 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Structure-Based Design of gamma-Carboline Analogues as Potent and Specific BET Bromodomain Inhibitors. J.Med.Chem., 58, 2015
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7RN2
| Crystal structure of the first bromodomain of human BRD4 in complex with SJ001010551-2 | Descriptor: | 1,2-ETHANEDIOL, 2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide, Bromodomain-containing protein 4 | Authors: | Stachowski, T.R, Fischer, M. | Deposit date: | 2021-07-28 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors. Eur.J.Med.Chem., 251, 2023
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7RMD
| Crystal structure of the first bromodomain of human BRD4 in complex with SJ001011461-1 | Descriptor: | 1,2-ETHANEDIOL, 2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide, Bromodomain-containing protein 4 | Authors: | Stachowski, T.R, Fischer, M. | Deposit date: | 2021-07-27 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors. Eur.J.Med.Chem., 251, 2023
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6WGX
| Cocrystal of BRD4(D1) with a selective inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4 | Authors: | Johnson, J.A, Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2020-04-06 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Selective N-Terminal BET Bromodomain Inhibitors by Targeting Non-Conserved Residues and Structured Water Displacement*. Angew.Chem.Int.Ed.Engl., 60, 2021
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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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Naphthyridines as Novel Bet Family Bromodomain Inhibitors. Chemmedchem, 9, 2014
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4BW1
| The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | 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 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 (1.4 Å) | Cite: | Naphthyridines as Novel Bet Family Bromodomain Inhibitors. Chemmedchem, 9, 2014
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4BW3
| 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)-6-methoxy-1,5-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 (1.5 Å) | Cite: | Naphthyridines as Novel Bet Family Bromodomain Inhibitors. Chemmedchem, 9, 2014
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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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2M9U
| Solution NMR structure of the C-terminal domain (CTD) of Moloney murine leukemia virus integrase, Northeast Structural Genomics Target OR41A | Descriptor: | Integrase p46 | Authors: | Aiyer, S, Rossi, P, Schneider, W.M, Chander, A, Roth, M.J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-06-19 | Release date: | 2013-12-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Altering murine leukemia virus integration through disruption of the integrase and BET protein family interaction. Nucleic Acids Res., 42, 2014
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7S3P
| BD2 domain of human BRD3 bound to Physachenolide C | Descriptor: | Bromodomain-containing protein 3, CHLORIDE ION, Physachenolide C | Authors: | Horton, N.C, Chapman, E, Sivinski, J, Zerio, C, Ghadirian, N. | Deposit date: | 2021-09-07 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Physachenolide C is a Potent, Selective BET Inhibitor. J.Med.Chem., 66, 2023
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2DWW
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8OV6
| Ternary structure of intramolecular bivalent glue degrader IBG1 bound to BRD4 and DCAF16:DDB1deltaBPB | Descriptor: | Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DDB1deltaBPB, ... | Authors: | Cowan, A.D, Sundaramoorthy, R, Nakasone, M.A, Ciulli, A. | Deposit date: | 2023-04-25 | Release date: | 2023-05-17 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Targeted protein degradation via intramolecular bivalent glues. Nature, 627, 2024
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4C66
| Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains | Descriptor: | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C, Mirguet, O. | Deposit date: | 2013-09-17 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains. J.Med.Chem., 56, 2013
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4CFK
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY294002 | Descriptor: | 1,2-ETHANEDIOL, 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, BRD4 PROTEIN, ... | Authors: | Chung, C, Dittmann, A, Drewes, G. | Deposit date: | 2013-11-18 | Release date: | 2014-01-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains. Acs Chem.Biol., 9, 2014
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3JVM
| Crystal structure of bromodomain 2 of mouse Brd4 | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Bromodomain-containing protein 4 | Authors: | Vollmuth, F, Blankenfeldt, W, Geyer, M. | Deposit date: | 2009-09-17 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structures of the Dual Bromodomains of the P-TEFb-activating Protein Brd4 at Atomic Resolution J.Biol.Chem., 284, 2009
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3JVL
| Crystal structure of bromodomain 2 of mouse Brd4 | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Bromodomain-containing protein 4 | Authors: | Vollmuth, F, Blankenfeldt, W, Geyer, M. | Deposit date: | 2009-09-17 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structures of the Dual Bromodomains of the P-TEFb-activating Protein Brd4 at Atomic Resolution J.Biol.Chem., 284, 2009
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3JVJ
| Crystal structure of the bromodomain 1 in mouse Brd4 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL | Authors: | Vollmuth, F, Blankenfeldt, W, Geyer, M. | Deposit date: | 2009-09-17 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structures of the Dual Bromodomains of the P-TEFb-activating Protein Brd4 at Atomic Resolution J.Biol.Chem., 284, 2009
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3JVK
| Crystal structure of bromodomain 1 of mouse Brd4 in complex with histone H3-K(ac)14 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, histone H3.3 peptide | Authors: | Vollmuth, F, Blankenfeldt, W, Geyer, M. | Deposit date: | 2009-09-17 | Release date: | 2009-10-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of the Dual Bromodomains of the P-TEFb-activating Protein Brd4 at Atomic Resolution J.Biol.Chem., 284, 2009
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5DW2
| X-ray crystal structure of human BRD4(BD1) in complex with RVX297 to 1.12 A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | Authors: | White, A, Fontano, E, Suto, R.K. | Deposit date: | 2015-09-22 | Release date: | 2016-06-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | RVX-297- a novel BD2 selective inhibitor of BET bromodomains. Biochem.Biophys.Res.Commun., 477, 2016
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5NNC
| Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H3K9ac/K14ac) | Descriptor: | Bromodomain-containing protein 4, Histone H3 | Authors: | Filippakopoulos, P, Picaud, S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | Deposit date: | 2017-04-08 | Release date: | 2018-05-16 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
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5NNG
| Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated SRPK1 peptide (K585ac) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, VAG(ALY)YS(ALY)EFFY | Authors: | Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC) | Deposit date: | 2017-04-08 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
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5NNF
| Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated BAZ1B peptide (K221ac) | Descriptor: | Bromodomain-containing protein 4, FLPH(ALY)YDVKL | Authors: | Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | Deposit date: | 2017-04-08 | Release date: | 2018-05-16 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
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8XBS
| C. elegans apo-SID1 structure | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gong, D.S. | Deposit date: | 2023-12-07 | Release date: | 2024-06-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.21 Å) | Cite: | Structural basis for double-stranded RNA recognition by SID1. Nucleic Acids Res., 52, 2024
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