6SQE
 
 | | Crystal structure of CREBBP bromodomain complexed with KD341 | | 分子名称: | 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 | | 著者 | Bedi, R.K, Kirillova, M, Nevado, C, Caflisch, A. | | 登録日 | 2019-09-03 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.506 Å) | | 主引用文献 | Crystal structure of CREBBP bromodomain complexed with KD341
To Be Published
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6SXX
 | | Crystal structure of the bromodomain of human CREBBP in complex with ACA007 | | 分子名称: | (3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREBBP | | 著者 | Xiang, W, Bedi, R.K, Sledz, P, Caflisch, A. | | 登録日 | 2019-09-26 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Crystal structure of the bromodomain of human CREBBP in complex with ACA007
To Be Published
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6U4A
 | | BRD3-BD1 in complex with the cyclic peptide 3.1_3 | | 分子名称: | Bromodomain-containing protein 3, GLYCEROL, SULFATE ION, ... | | 著者 | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | | 登録日 | 2019-08-24 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | 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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6U6K
 | | BRD4-BD1 in complex with the cyclic peptide 3.1_3 | | 分子名称: | Bromodomain-containing protein 4, cyclic peptide 3.1_3 | | 著者 | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | | 登録日 | 2019-08-30 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6U71
 | | BRD2-BD2 in complex with the cyclic peptide 3.1_3 | | 分子名称: | Bromodomain-containing protein 2, cyclic peptide 3.1_3 | | 著者 | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | | 登録日 | 2019-08-31 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6U8G
 | | BRD4-BD2 in complex with the cyclic peptide 3.1_2_AcK7toA | | 分子名称: | Bromodomain-containing protein 4, cyclic peptide 3.1_2_AcK7toA | | 著者 | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S. | | 登録日 | 2019-09-05 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6G0S
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated SIRT7 peptide (K272ac/K275ac) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, NAD-dependent protein deacetylase sirtuin-7 | | 著者 | Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2018-03-19 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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6FNX
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6U72
 | | BRD4-BD1 in complex with the cyclic peptide 3.1_2_AcK5toA | | 分子名称: | 3.1_2_AcK5toA, AMINO GROUP, Bromodomain-containing protein 4 | | 著者 | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S. | | 登録日 | 2019-08-31 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6FR0
 | | Crystal structure of CREBBP bromodomain complexd with PB08 | | 分子名称: | 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 | | 著者 | Zhu, J, Caflisch, A. | | 登録日 | 2018-02-15 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 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
 | | Crystal structure of CREBBP bromodomain complexd with PA10 | | 分子名称: | CREB-binding protein, ~{N}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide | | 著者 | Zhu, J, Caflisch, A. | | 登録日 | 2018-02-15 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 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
 | | BRD4 (BD1) in complex with APSC-derived ligands | | 分子名称: | 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one, Bromodomain-containing protein 4, FORMIC ACID, ... | | 著者 | Pretzel, J, Humbeck, L. | | 登録日 | 2018-03-18 | | 公開日 | 2020-01-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.613 Å) | | 主引用文献 | Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
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6G0G
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6G0O
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated ATRX peptide (K1030ac/K1033ac) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcriptional regulator ATRX | | 著者 | Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | | 登録日 | 2018-03-19 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
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6U61
 | | BRD2-BD1 in complex with the cyclic peptide 3.1_3 | | 分子名称: | Bromodomain-containing protein 2, ZINC ION, cyclic peptide 3.1_3 | | 著者 | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | | 登録日 | 2019-08-28 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | 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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6ULS
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6U6L
 | | BRD4-BD2 in complex with the cyclic peptide 3.1_2 | | 分子名称: | AMINO GROUP, Bromodomain-containing protein 4, Cyclic peptide 3.1_2, ... | | 著者 | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | | 登録日 | 2019-08-30 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6U8H
 | | BRD2-BD1 in complex with the cyclic peptide 3.2_2 | | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, AMINO GROUP, Bromodomain-containing protein 2, ... | | 著者 | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | | 登録日 | 2019-09-05 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6U8M
 | | BRD4-BD1 in complex with the cyclic peptide 3.2_1 | | 分子名称: | AMINO GROUP, Bromodomain-containing protein 4, cyclic peptide 3.2_1 | | 著者 | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | | 登録日 | 2019-09-05 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4XYA
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-amine-9H-purine ligand | | 分子名称: | 1,2-ETHANEDIOL, 6-(5-bromo-1-benzofuran-7-yl)-9H-purin-2-amine, Bromodomain-containing protein 4 | | 著者 | Picaud, S, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | | 登録日 | 2015-02-02 | | 公開日 | 2015-03-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | 9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.
J.Med.Chem., 58, 2015
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7B9X
 | | NMR2 structure of TRIM24-BD in complex with a precursor of IACS-9571 | | 分子名称: | 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 | | 著者 | Orts, J, Torres, F, Milbradt, A.G, Walser, R. | | 登録日 | 2020-12-14 | | 公開日 | 2022-01-12 | | 最終更新日 | 2022-04-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | 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
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with BAZ2-ICR chemical probe | | 分子名称: | 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 | | 著者 | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-01-25 | | 公開日 | 2015-03-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | 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
 | | BAZ2A bromodomain in complex with compound UZH23 | | 分子名称: | 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 | | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | | 登録日 | 2021-01-18 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Chemical probes in the BAZ2A bromodomain
to be published
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