8CV7
 
 | | Peptide 2.2E in complex with BRD2-BD2 | | Descriptor: | ACETYL GROUP, AMINO GROUP, Isoform 3 of Bromodomain-containing protein 2, ... | | 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 (1.6 Å) | | Cite: | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
|
|
8EAD
 | |
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
|
|
8CKF
 | | Crystal Structure of the first bromodomain of human BRD4 L94C variant in complex with racemic 3,5-dimethylisoxazol ligand | | Descriptor: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol, Bromodomain-containing protein 4 | | Authors: | Thomas, A.M, McDonough, M.A, Schiedel, M, Conway, S.J. | | Deposit date: | 2023-02-15 | | Release date: | 2023-08-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Mutate and Conjugate: A Method to Enable Rapid In-Cell Target Validation.
Acs Chem.Biol., 18, 2023
|
|
8E3W
 | | BRD4-D1 in complex with BET inhibitor | | Descriptor: | (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W. | | Deposit date: | 2022-08-17 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
|
|
6QJU
 | |
9FBX
 | | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one, ... | | Authors: | Chung, C. | | Deposit date: | 2024-05-14 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787.
J.Med.Chem., 67, 2024
|
|
9FBY
 | |
9F1M
 | | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 45 | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-[7-[2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethanoylamino]heptanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, ... | | Authors: | Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-19 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.90001261 Å) | | Cite: | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 45
to be published
|
|
9F1N
 | | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 46 | | Descriptor: | (2S,4R)-1-[(2S)-2-[9-[2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethanoylamino]nonanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-4H-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | | Authors: | Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-19 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.71000016 Å) | | Cite: | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 46
to be published
|
|
9F1J
 | | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 14 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[2-[2-[2-[2-[2-[2-[2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-4-yl]oxyethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]phenoxy]butanamide | | Authors: | Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-19 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.13003039 Å) | | Cite: | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 14
to be published
|
|
9F1L
 | | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 35 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[2-[2-[(3R)-2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-4-yl]oxyethyl]-2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethanamide | | Authors: | Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-19 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.30000627 Å) | | Cite: | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 35
to be published
|
|
9F1K
 | | First bromodomain of BRD4 in complex with ISOX-DUAL based inhibitor 30 | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]-N-(2-methoxyethyl)ethanamide, Bromodomain-containing protein 4 | | Authors: | Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-19 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | First bromodomain of BRD4 in complex with ISOX-DUAL based inhibitor 30
to be published
|
|
8IDH
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | Descriptor: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | | Authors: | Cao, D, Zhiyan, D, Xiong, B. | | Deposit date: | 2023-02-13 | | Release date: | 2023-10-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
|
|
2OO1
 | | Crystal structure of the Bromo domain 2 of human Bromodomain containing protein 3 (BRD3) | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Bromodomain-containing protein 3, ... | | Authors: | Filippakopoulos, P, Bullock, A, Papagrigoriou, E, Keates, T, Cooper, C, Smee, C, Ugochukwu, E, Debreczeni, J, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-01-25 | | Release date: | 2007-02-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
|
|
2R0Y
 | | Structure of the Rsc4 tandem bromodomain in complex with an acetylated H3 peptide | | Descriptor: | Chromatin structure-remodeling complex protein RSC4, Histone H3 peptide | | Authors: | VanDemark, A.P, Kasten, M.M, Ferris, E, Heroux, A, Hill, C.P, Cairns, B.R. | | Deposit date: | 2007-08-21 | | Release date: | 2007-10-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Autoregulation of the rsc4 tandem bromodomain by gcn5 acetylation.
Mol.Cell, 27, 2007
|
|
8K14
 | | X-ray crystal structure of 18a in BRD4(1) | | Descriptor: | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4 | | Authors: | Xu, H, Shen, H, Zhang, Y, Xu, Y, Li, R. | | Deposit date: | 2023-07-10 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation.
Eur.J.Med.Chem., 263, 2024
|
|
2OUO
 | | Crystal Structure of the Bromo domain 2 in human Bromodomain Containing Protein 4 (BRD4) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Keates, T, Savitsky, P, Burgess, N, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-12 | | Release date: | 2007-02-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
|
|
2R0V
 | | Structure of the Rsc4 tandem bromodomain acetylated at K25 | | Descriptor: | Chromatin structure-remodeling complex protein RSC4, SULFATE ION | | Authors: | VanDemark, A.P, Kasten, M.M, Ferris, E, Heroux, A, Hill, C.P, Cairns, B.R. | | Deposit date: | 2007-08-21 | | Release date: | 2007-10-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Autoregulation of the rsc4 tandem bromodomain by gcn5 acetylation.
Mol.Cell, 27, 2007
|
|
2R10
 | | Structure of an acetylated Rsc4 tandem bromodomain Histone Chimera | | Descriptor: | 1,2-ETHANEDIOL, Chromatin structure-remodeling complex protein RSC4, LINKER, ... | | Authors: | VanDemark, A.P, Kasten, M.M, Ferris, E, Heroux, A, Hill, C.P, Cairns, B.R. | | Deposit date: | 2007-08-21 | | Release date: | 2007-10-30 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Autoregulation of the rsc4 tandem bromodomain by gcn5 acetylation.
Mol.Cell, 27, 2007
|
|
2OSS
 | | Crystal structure of the Bromo domain 1 in human Bromodomain Containing Protein 4 (BRD4) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Keates, T, Savitsky, P, Burgess, N, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-06 | | Release date: | 2007-02-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
|
|
8OU2
 | | Crystal structure of the bromodomain of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to a potent inhibitor | | Descriptor: | 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, ... | | Authors: | Balikci, E, Ni, X, Bountra, C, von Delft, F, Huber, K. | | Deposit date: | 2023-04-21 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the bromodomain of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to a potent inhibitor
To Be Published
|
|
8P9G
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB390 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
|
|
8P9I
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB462 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
|
|
8P9H
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB437 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
|
|
