6SQE
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![BU of 6sqe by Molmil](/molmil-images/mine/6sqe) | Crystal structure of CREBBP bromodomain complexed with KD341 | Descriptor: | 1,2-ETHANEDIOL, CREB-binding protein, ~{N}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide | Authors: | Bedi, R.K, Kirillova, M, Nevado, C, Caflisch, A. | Deposit date: | 2019-09-03 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.506 Å) | Cite: | Crystal structure of CREBBP bromodomain complexed with KD341 To Be Published
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6SXX
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![BU of 6sxx by Molmil](/molmil-images/mine/6sxx) | Crystal structure of the bromodomain of human CREBBP in complex with ACA007 | Descriptor: | (3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREBBP | Authors: | Xiang, W, Bedi, R.K, Sledz, P, Caflisch, A. | Deposit date: | 2019-09-26 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structure of the bromodomain of human CREBBP in complex with ACA007 To Be Published
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6U4A
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![BU of 6u4a by Molmil](/molmil-images/mine/6u4a) | BRD3-BD1 in complex with the cyclic peptide 3.1_3 | Descriptor: | Bromodomain-containing protein 3, GLYCEROL, SULFATE ION, ... | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | Deposit date: | 2019-08-24 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.88 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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6FQT
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![BU of 6fqt by Molmil](/molmil-images/mine/6fqt) | Crystal structure of CREBBP bromodomain complexd with DR46 | Descriptor: | CREB-binding protein, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2018-02-14 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of CREBBP bromodomain complexd with DR46 To Be Published
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6U6K
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![BU of 6u6k by Molmil](/molmil-images/mine/6u6k) | BRD4-BD1 in complex with the cyclic peptide 3.1_3 | Descriptor: | Bromodomain-containing protein 4, cyclic peptide 3.1_3 | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | Deposit date: | 2019-08-30 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 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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6U71
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![BU of 6u71 by Molmil](/molmil-images/mine/6u71) | BRD2-BD2 in complex with the cyclic peptide 3.1_3 | Descriptor: | Bromodomain-containing protein 2, cyclic peptide 3.1_3 | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | Deposit date: | 2019-08-31 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.47 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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6U8G
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![BU of 6u8g by Molmil](/molmil-images/mine/6u8g) | BRD4-BD2 in complex with the cyclic peptide 3.1_2_AcK7toA | Descriptor: | Bromodomain-containing protein 4, cyclic peptide 3.1_2_AcK7toA | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S. | Deposit date: | 2019-09-05 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 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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6G0S
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![BU of 6g0s by Molmil](/molmil-images/mine/6g0s) | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated SIRT7 peptide (K272ac/K275ac) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, NAD-dependent protein deacetylase sirtuin-7 | Authors: | Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | Deposit date: | 2018-03-19 | Release date: | 2018-11-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
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6FNX
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![BU of 6fnx by Molmil](/molmil-images/mine/6fnx) | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR F1 | Descriptor: | 1,2-ETHANEDIOL, 7-ethyl-3-(phenylmethyl)purine-2,6-dione, Bromodomain-containing protein 4 | Authors: | Raux, B, Betzi, S. | Deposit date: | 2018-02-05 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach. J. Med. Chem., 61, 2018
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6U72
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![BU of 6u72 by Molmil](/molmil-images/mine/6u72) | BRD4-BD1 in complex with the cyclic peptide 3.1_2_AcK5toA | Descriptor: | 3.1_2_AcK5toA, AMINO GROUP, Bromodomain-containing protein 4 | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S. | Deposit date: | 2019-08-31 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 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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6FR0
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![BU of 6fr0 by Molmil](/molmil-images/mine/6fr0) | Crystal structure of CREBBP bromodomain complexd with PB08 | Descriptor: | CREB-binding protein, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2018-02-15 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett, 9, 2018
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6FRF
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![BU of 6frf by Molmil](/molmil-images/mine/6frf) | Crystal structure of CREBBP bromodomain complexd with PA10 | Descriptor: | CREB-binding protein, ~{N}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2018-02-15 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett, 9, 2018
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6G0E
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![BU of 6g0e by Molmil](/molmil-images/mine/6g0e) | BRD4 (BD1) in complex with APSC-derived ligands | Descriptor: | 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one, Bromodomain-containing protein 4, FORMIC ACID, ... | Authors: | Pretzel, J, Humbeck, L. | Deposit date: | 2018-03-18 | Release date: | 2020-01-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.613 Å) | Cite: | Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma Chemrxiv, 2019
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6G0G
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![BU of 6g0g by Molmil](/molmil-images/mine/6g0g) | |
6G0O
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![BU of 6g0o by Molmil](/molmil-images/mine/6g0o) | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated ATRX peptide (K1030ac/K1033ac) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcriptional regulator ATRX | Authors: | Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | Deposit date: | 2018-03-19 | Release date: | 2018-11-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
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6U61
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![BU of 6u61 by Molmil](/molmil-images/mine/6u61) | BRD2-BD1 in complex with the cyclic peptide 3.1_3 | Descriptor: | Bromodomain-containing protein 2, ZINC ION, cyclic peptide 3.1_3 | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | Deposit date: | 2019-08-28 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.29 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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6U0D
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![BU of 6u0d by Molmil](/molmil-images/mine/6u0d) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0590 | Descriptor: | Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea | Authors: | Leonard, P.G, Joseph, S. | Deposit date: | 2019-08-14 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site J. Med. Chem., 2022
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6ULS
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![BU of 6uls by Molmil](/molmil-images/mine/6uls) | BRD4-BD1 in complex with the a diacetylated-E2F1 peptide | Descriptor: | Bromodomain-containing protein 4, Diacetylated E2F1 Peptide (K117ac and K120ac) | Authors: | Patel, K, Low, J.K.K, Mackay, J.P. | Deposit date: | 2019-10-08 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | BET-Family Bromodomains Can Recognize Diacetylated Sequences from Transcription Factors Using a Conserved Mechanism. Biochemistry, 60, 2021
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6U6L
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![BU of 6u6l by Molmil](/molmil-images/mine/6u6l) | BRD4-BD2 in complex with the cyclic peptide 3.1_2 | Descriptor: | AMINO GROUP, Bromodomain-containing protein 4, Cyclic peptide 3.1_2, ... | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | Deposit date: | 2019-08-30 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 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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6U8H
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![BU of 6u8h by Molmil](/molmil-images/mine/6u8h) | BRD2-BD1 in complex with the cyclic peptide 3.2_2 | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, AMINO GROUP, Bromodomain-containing protein 2, ... | 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 (2.07 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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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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4XYA
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![BU of 4xya by Molmil](/molmil-images/mine/4xya) | Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-amine-9H-purine ligand | Descriptor: | 1,2-ETHANEDIOL, 6-(5-bromo-1-benzofuran-7-yl)-9H-purin-2-amine, Bromodomain-containing protein 4 | Authors: | Picaud, S, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | Deposit date: | 2015-02-02 | Release date: | 2015-03-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain. J.Med.Chem., 58, 2015
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7B9X
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![BU of 7b9x by Molmil](/molmil-images/mine/7b9x) | NMR2 structure of TRIM24-BD in complex with a precursor of IACS-9571 | Descriptor: | N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide, Transcription intermediary factor 1-alpha | Authors: | Orts, J, Torres, F, Milbradt, A.G, Walser, R. | Deposit date: | 2020-12-14 | Release date: | 2022-01-12 | Last modified: | 2022-04-27 | Method: | SOLUTION NMR | Cite: | NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24. J.Med.Chem., 65, 2022
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4XUB
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![BU of 4xub by Molmil](/molmil-images/mine/4xub) | Crystal Structure of the bromodomain of human BAZ2B in complex with BAZ2-ICR chemical probe | Descriptor: | 1,2-ETHANEDIOL, 4-{4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H-imidazol-5-yl}benzonitrile, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-01-25 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B. J.Med.Chem., 58, 2015
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7BLD
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![BU of 7bld by Molmil](/molmil-images/mine/7bld) | BAZ2A bromodomain in complex with compound UZH23 | Descriptor: | 1-[3-(6-Methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | Deposit date: | 2021-01-18 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Chemical probes in the BAZ2A bromodomain to be published
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