6ULV
| BRD4-BD1 in complex with the cyclic peptide 4.2_1 | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bromodomain-containing protein 4, Cyclic peptide 4.2_3, ... | 著者 | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | 登録日 | 2019-10-08 | 公開日 | 2020-12-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 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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4LZS
| Crystal Structure of BRD4(1) bound to inhibitor XD46 | 分子名称: | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S. | 登録日 | 2013-08-01 | 公開日 | 2014-01-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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6JI3
| BRD4-BD1 bound with ligand 103 | 分子名称: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | 著者 | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | 登録日 | 2019-02-20 | 公開日 | 2020-02-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | brd4-bd1 bound with ligand 103 To Be Published
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8G46
| Cryo-EM structure of DDB1deltaB-DDA1-DCAF16-BRD4(BD2)-MMH2 | 分子名称: | Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DET1- and DDB1-associated protein 1, ... | 著者 | Ma, M.W, Hunkeler, M, Jin, C.Y, Fischer, E.S. | 登録日 | 2023-02-08 | 公開日 | 2023-03-08 | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | 主引用文献 | Template-assisted covalent modification of DCAF16 underlies activity of BRD4 molecular glue degraders. Biorxiv, 2023
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5D3R
| First bromodomain of BRD4 bound to inhibitor XD42 | 分子名称: | 4-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Wohlwend, D, Huegle, M. | 登録日 | 2015-08-06 | 公開日 | 2016-01-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5EGU
| FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 3-Butyl-8-(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-7-ethyl-3,7-dihydropurine-2,6-dione | 分子名称: | 1,2-ETHANEDIOL, 3-butyl-8-[(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione, Bromodomain-containing protein 4 | 著者 | Raux, B, Rebuffet, E, Betzi, S, Priet, S, Morelli, X. | 登録日 | 2015-10-27 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins. J.Med.Chem., 59, 2016
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4LRG
| Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide | 分子名称: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4 | 著者 | Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | 登録日 | 2013-07-19 | 公開日 | 2013-08-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. ACS Med Chem Lett, 4, 2013
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5NNC
| Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H3K9ac/K14ac) | 分子名称: | Bromodomain-containing protein 4, Histone H3 | 著者 | Filippakopoulos, P, Picaud, S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | 登録日 | 2017-04-08 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
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6KEG
| BRD4 Bromodomain1 with an inhibitor | 分子名称: | 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4H-pyrrolo[1,2-a]pyrazin-1-one, Bromodomain-containing protein 4 | 著者 | Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C. | 登録日 | 2019-07-04 | 公開日 | 2020-07-08 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.232 Å) | 主引用文献 | BRD4 Bromodomain1 with an inhibitor To Be Published
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7V2J
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 33 | 分子名称: | Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide | 著者 | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | 登録日 | 2021-08-09 | 公開日 | 2022-08-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia. Acta Pharmacol.Sin., 43, 2022
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5UVY
| BRD4 Bromodomain 2 with A-1349391 | 分子名称: | 6-methyl-4-(2-phenoxyphenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Bromodomain-containing protein 4 | 著者 | Park, C.H. | 登録日 | 2017-02-20 | 公開日 | 2017-06-14 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | BRD4 Bromodomain 2 with A-1349391 To Be Published
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5UEU
| BRD4_BD2_A-1107604 | 分子名称: | Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate | 著者 | Park, C.H. | 登録日 | 2017-01-03 | 公開日 | 2017-05-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.26 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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7KHH
| Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide) | 分子名称: | Bromodomain-containing protein 4, Elongin-B, Elongin-C, ... | 著者 | Murray, J.M. | 登録日 | 2020-10-21 | 公開日 | 2021-02-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.281 Å) | 主引用文献 | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy. J.Med.Chem., 64, 2021
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5UET
| BRD4_BD2_A-1308586 | 分子名称: | 2-methyl-5-phenyl-1H-pyrrole-3-carboxamide, Bromodomain-containing protein 4 | 著者 | Park, C.H. | 登録日 | 2017-01-03 | 公開日 | 2017-06-14 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Complex structure of BRD4_BD2_A-1308586 To Be Published
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5UEX
| BRD4_BD2_A-1497627 | 分子名称: | 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one, Bromodomain-containing protein 4 | 著者 | Park, C.H. | 登録日 | 2017-01-03 | 公開日 | 2017-05-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.29 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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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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3UW9
| Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K8acK12ac) | 分子名称: | Bromodomain-containing protein 4, histone 4 peptide (H4K8acK12ac) | 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 | 2011-12-01 | 公開日 | 2012-03-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.3 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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2YEM
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5DX4
| Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide, Bromodomain-containing protein 4, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-09-23 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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6WW8
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8PXM
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (1R,1'R)-7,7'-(pentane-1,5-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one) | 分子名称: | (1R)-7-[5-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]pentoxy]-1,3-dimethyl-1H-3-benzazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Chung, C.W. | 登録日 | 2023-07-23 | 公開日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.378 Å) | 主引用文献 | Design and Characterization of 1,3-Dihydro-2 H -benzo[ d ]azepin-2-ones as Rule-of-5 Compliant Bivalent BET Inhibitors. Acs Med.Chem.Lett., 14, 2023
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6VIZ
| BRD4_Bromodomain1 complex with pyrrolopyridone compound 27 | 分子名称: | 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Longenecker, K.L, Park, C.H, Qiu, W. | 登録日 | 2020-01-14 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.391 Å) | 主引用文献 | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J.Med.Chem., 63, 2020
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5UEY
| BRD4_BD2_A-1412838 | 分子名称: | 5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4 | 著者 | Park, C.H. | 登録日 | 2017-01-03 | 公開日 | 2017-05-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.41 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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6VIW
| BRD4_Bromodomain1 complex with pyrrolopyridone compound 18 | 分子名称: | 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Longenecker, K.L, Park, C.H, Qiu, W. | 登録日 | 2020-01-14 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.429 Å) | 主引用文献 | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J.Med.Chem., 63, 2020
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6KEF
| BRD4 Bromodomain1 with an inhibitor | 分子名称: | Bromodomain-containing protein 4, N-[3-(8-methyl-1-oxidanylidene-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide | 著者 | Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C. | 登録日 | 2019-07-04 | 公開日 | 2020-07-08 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.44467545 Å) | 主引用文献 | BRD4 Bromodomain1 with an inhibitor To Be Published
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