4O78
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![BU of 4o78 by Molmil](/molmil-images/mine/4o78) | Crystal structure of the first bromodomain of human BRD4 in complex with GW612286X | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | 著者 | Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4WHW
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![BU of 4whw by Molmil](/molmil-images/mine/4whw) | Direct photocapture of bromodomains using tropolone chemical probes | 分子名称: | 1,2-ETHANEDIOL, 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, Bromodomain-containing protein 4 | 著者 | Hett, E.C, Piatnitski Chekler, E.L, Basak, A, Bonin, P.D, Denny, R.A, Flick, A.C, Geoghegan, K.F, Liu, S, Pletcher, M.T, Robinson, R.P, Sahasrabudhe, P, Salter, S, Stock, I.A, Jones, L.H. | 登録日 | 2014-09-23 | 公開日 | 2015-10-28 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.345 Å) | 主引用文献 | Direct photocapture of bromodomains using tropolone chemical probes To Be Published
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7RUI
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![BU of 7rui by Molmil](/molmil-images/mine/7rui) | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844 | 分子名称: | Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide | 著者 | Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R. | 登録日 | 2021-08-17 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844 To Be Published
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5UF0
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![BU of 5uf0 by Molmil](/molmil-images/mine/5uf0) | BRD4_BD2-A-35165 | 分子名称: | 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one, Bromodomain-containing protein 4 | 著者 | Park, C.H. | 登録日 | 2017-01-03 | 公開日 | 2017-06-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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6KEC
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![BU of 6kec by Molmil](/molmil-images/mine/6kec) | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one | 分子名称: | 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID | 著者 | Lee, B.I, Park, T.H. | 登録日 | 2019-07-04 | 公開日 | 2020-07-08 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research. Molecules, 26, 2021
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2OSS
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![BU of 2oss by Molmil](/molmil-images/mine/2oss) | Crystal structure of the Bromo domain 1 in human Bromodomain Containing Protein 4 (BRD4) | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | 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) | 登録日 | 2007-02-06 | 公開日 | 2007-02-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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5F62
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![BU of 5f62 by Molmil](/molmil-images/mine/5f62) | Crystal structure of the first bromodomain of human BRD4 in complex with MA4-022-2 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide | 著者 | Ember, S.W, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2015-12-04 | 公開日 | 2017-02-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics. Mol. Cancer Ther., 16, 2017
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5F60
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![BU of 5f60 by Molmil](/molmil-images/mine/5f60) | Crystal structure of the first bromodomain of human BRD4 in complex with SG3-014 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, ... | 著者 | Ember, S.W, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2015-12-04 | 公開日 | 2017-02-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics. Mol. Cancer Ther., 16, 2017
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5E0R
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![BU of 5e0r by Molmil](/molmil-images/mine/5e0r) | |
5W55
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![BU of 5w55 by Molmil](/molmil-images/mine/5w55) | |
4O71
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![BU of 4o71 by Molmil](/molmil-images/mine/4o71) | Crystal structure of the first bromodomain of human BRD4 in complex with FLAVOPIRIDOL | 分子名称: | 1,2-ETHANEDIOL, 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Bromodomain-containing protein 4 | 著者 | Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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5A5S
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![BU of 5a5s by Molmil](/molmil-images/mine/5a5s) | NN-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-5-methoxypyridin-3-yl-3- methyl-8-piperidin-4-ylamino-1,2-dihydro-1,7-naphthyridin-2-one | 分子名称: | 1,2-ETHANEDIOL, 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one, BROMODOMAIN-CONTAINING PROTEIN 4 | 著者 | Chung, C, Bamborough, P, Demont, E. | 登録日 | 2015-06-20 | 公開日 | 2015-07-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors. J.Med.Chem., 58, 2015
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4UYD
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![BU of 4uyd by Molmil](/molmil-images/mine/4uyd) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-2-oxo-2,3- dihydro-1H-1,3-benzodiazole-5-carboxamide | 分子名称: | 1,2-ETHANEDIOL, 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, BROMODOMAIN-CONTAINING PROTEIN 4, ... | 著者 | Chung, C, Bamborough, P, Demont, E. | 登録日 | 2014-08-30 | 公開日 | 2014-09-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | 1,3-Dimethyl Benzimidazolones are Potent, Selective Inhibitors of the Brpf1 Bromodomain. Acs Med.Chem.Lett., 5, 2014
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3UVW
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![BU of 3uvw by Molmil](/molmil-images/mine/3uvw) | Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K5acK8ac) | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Histone H4 | 著者 | Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2011-11-30 | 公開日 | 2012-01-18 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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7ZFV
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![BU of 7zfv by Molmil](/molmil-images/mine/7zfv) | BRD4 in complex with PepLite-Ala | 分子名称: | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide, Bromodomain-containing protein 4, GLYCEROL | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-04-01 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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4QR3
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![BU of 4qr3 by Molmil](/molmil-images/mine/4qr3) | Brd4 Bromodomain 1 complex with its novel inhibitors | 分子名称: | Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide | 著者 | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | 登録日 | 2014-06-30 | 公開日 | 2015-07-01 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.374 Å) | 主引用文献 | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
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6SE4
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![BU of 6se4 by Molmil](/molmil-images/mine/6se4) | Crystal Structure of the first bromodomain of human BRD4 in complex with (+)-JD1, an Organometallic BET Bromodomain Inhibitor | 分子名称: | (+)-JD1, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | 著者 | Krojer, T, Hassell-Hart, S, Picaud, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Spencer, J, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2019-07-29 | 公開日 | 2019-08-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Crystal Structure of the first bromodomain of human BRD4 in complex with (+)-JD1, an Organometallic BET Bromodomain Inhibitor To Be Published
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6UVJ
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![BU of 6uvj by Molmil](/molmil-images/mine/6uvj) | |
5M39
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![BU of 5m39 by Molmil](/molmil-images/mine/5m39) | Crystal structure of BRD4 BROMODOMAIN 1 IN COMPLEX WITH LIGAND 1 | 分子名称: | 6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4 | 著者 | Kessler, D, Mayer, M, Engelhardt, H, Wolkerstorfer, B, Geist, L. | 登録日 | 2016-10-14 | 公開日 | 2017-09-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Direct NMR Probing of Hydration Shells of Protein Ligand Interfaces and Its Application to Drug Design. J. Med. Chem., 60, 2017
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7RJO
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![BU of 7rjo by Molmil](/molmil-images/mine/7rjo) | Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with hnRNPK | 分子名称: | ACETATE ION, Bromodomain-containing protein 4, GLYCEROL, ... | 著者 | Fedorov, E, Islam, K, Ghosh, A. | 登録日 | 2021-07-21 | 公開日 | 2022-08-03 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization Biorxiv, 2021
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6YQZ
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![BU of 6yqz by Molmil](/molmil-images/mine/6yqz) | N-terminal domain of BRD4 with biphenyl-methyamino-dimethylpyridazinone | 分子名称: | 1,2-ETHANEDIOL, 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one, Bromodomain-containing protein 4 | 著者 | Chung, C. | 登録日 | 2020-04-18 | 公開日 | 2021-03-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Application of Atypical Acetyl-lysine Methyl Mimetics in the Development of Selective Inhibitors of the Bromodomain-Containing Protein 7 (BRD7)/Bromodomain-Containing Protein 9 (BRD9) Bromodomains. J.Med.Chem., 63, 2020
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3U5L
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![BU of 3u5l by Molmil](/molmil-images/mine/3u5l) | Crystal Structure of the first bromodomain of human BRD4 in complex with a benzo-triazepine ligand (BzT-7) | 分子名称: | 1,2-ETHANEDIOL, 8-chloro-1,4-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2011-10-11 | 公開日 | 2011-11-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family. Bioorg.Med.Chem., 20, 2012
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5HM0
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![BU of 5hm0 by Molmil](/molmil-images/mine/5hm0) | Crystal structure of the first bromodomain of human BRD4 bound to benzoisoxazoloazepine 3 | 分子名称: | 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine, Bromodomain-containing protein 4 | 著者 | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | 登録日 | 2016-01-15 | 公開日 | 2016-02-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.395 Å) | 主引用文献 | Identification of a Benzoisoxazoloazepine Inhibitor (CPI-0610) of the Bromodomain and Extra-Terminal (BET) Family as a Candidate for Human Clinical Trials. J.Med.Chem., 59, 2016
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4Z1Q
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![BU of 4z1q by Molmil](/molmil-images/mine/4z1q) | Crystal structure of the first bromodomain of human BRD4 bound to benzotriazolo-diazepine scaffold | 分子名称: | 5-[(4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine, Bromodomain-containing protein 4 | 著者 | Setser, J.W, Poy, F, Tang, Y, Bellon, S.F. | 登録日 | 2015-03-27 | 公開日 | 2015-04-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.399 Å) | 主引用文献 | Discovery of Benzotriazolo[4,3-d][1,4]diazepines as Orally Active Inhibitors of BET Bromodomains. Acs Med.Chem.Lett., 7, 2016
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4NUC
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![BU of 4nuc by Molmil](/molmil-images/mine/4nuc) | Crystal structure of the first bromodomain of human BRD4 in complex with MS435 inhibitor | 分子名称: | 1,2-ETHANEDIOL, 4-[(E)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide, Bromodomain-containing protein 4 | 著者 | Plotnikov, A.N, Joshua, J, Zhou, M.-M. | 登録日 | 2013-12-03 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure-Guided Design of Potent Diazobenzene Inhibitors for the BET Bromodomains J.Med.Chem., 56, 2013
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