5Z8R
 
 | | BRD4 Bromodomain 1 with an inhibitor | | 分子名称: | 1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4 | | 著者 | Xiao, S, Chen, S, Chen, H. | | 登録日 | 2018-02-01 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | BRD4 Bromodomain 1 with an inhibitor
To Be Published
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5Z8Z
 | | BRD4 Bromodomain 1 with an inhibitor | | 分子名称: | 6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4 | | 著者 | Xiao, S, Chen, S, Chen, H. | | 登録日 | 2018-02-01 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | BRD4 Bromodomain 1 with an inhibitor
To Be Published
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5XI4
 | | BRD4 bound with compound Bdi4 | | 分子名称: | (3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | | 著者 | Xiong, B, Cao, D, Li, Y. | | 登録日 | 2017-04-25 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.486 Å) | | 主引用文献 | BRD4 bound with compound Bdi4
To Be Published
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5XI3
 | | BRD4 bound with compound Bdi3 | | 分子名称: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | | 著者 | Xiong, B, Cao, D, Li, Y. | | 登録日 | 2017-04-25 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.674 Å) | | 主引用文献 | BRD4 bound with compound Bdi3
To Be Published
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5XI2
 | | BRD4 bound with compound Bdi2 | | 分子名称: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | | 著者 | Xiong, B, Cao, D, Li, Y. | | 登録日 | 2017-04-25 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.909 Å) | | 主引用文献 | BRD4 bound with compound Bdi2
To Be Published
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5XHY
 | | BRD4 bound with compound Bdi1 | | 分子名称: | Bromodomain-containing protein 4, ~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide | | 著者 | Xiong, B, Cao, D, Li, Y. | | 登録日 | 2017-04-25 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.976 Å) | | 主引用文献 | BRD4 bound with compound Bdi1
To Be Published
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5UVX
 | | BRD4 Bromodomain 2 with A-1359643 | | 分子名称: | Bromodomain-containing protein 4, N-[3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide | | 著者 | Park, C.H. | | 登録日 | 2017-02-20 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | BRD4 Bromodomain 2 with A-1359643
To Be Published
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5UVZ
 | | BRD4 Bromodomain 2 with A-1354689 | | 分子名称: | 3-methyl-5-(2-phenoxyphenyl)pyridin-2(1H)-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 (1.63 Å) | | 主引用文献 | BRD4 Bromodomain 2 with A-1354689
To Be Published
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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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5UVV
 | | BRD4 Bromodomain 2 with A-1457066 | | 分子名称: | 7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one, Bromodomain-containing protein 4 | | 著者 | Park, C.H. | | 登録日 | 2017-02-20 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | BRD4 Bromodomain 2 with A-1457066
To Be Published
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4PS5
 | | Crystal structure of the first bromodomain of human BRD4 in complex with TG101348 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Bromodomain-containing protein 4, ... | | 著者 | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | | 登録日 | 2014-03-06 | | 公開日 | 2014-03-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.4 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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4PCE
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13 | | 分子名称: | 1,2-ETHANEDIOL, 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one, Bromodomain-containing protein 4 | | 著者 | Dong, J, Caflisch, A. | | 登録日 | 2014-04-15 | | 公開日 | 2014-05-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.293 Å) | | 主引用文献 | Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014
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2LSP
 | | solution structures of BRD4 second bromodomain with NF-kB-K310ac peptide | | 分子名称: | Bromodomain-containing protein 4, NF-kB-K310ac peptide | | 著者 | Zhang, G, Liu, R, Zhong, Y, Plotnikov, A.N, Zhang, W, Rusinova, E, Gerona-Nevarro, G, Moshkina, N, Joshua, J, Chuang, P.Y, Ohlmeyer, M, He, J, Zhou, M.-M. | | 登録日 | 2012-05-03 | | 公開日 | 2012-07-18 | | 最終更新日 | 2023-11-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Down-regulation of NF-kappa B transcriptional activity in HIV-associated kidney disease by BRD4 inhibition.
J.Biol.Chem., 287, 2012
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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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6DJC
 | | Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS645 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-(decane-1,10-diyl)bis{2-[(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]acetamide} | | 著者 | Ren, C, Zhou, M.M. | | 登録日 | 2018-05-25 | | 公開日 | 2018-07-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2N3K
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7AQT
 | | NMR2 structure of BRD4-BD2 in complex with iBET-762 | | 分子名称: | 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 4 | | 著者 | Orts, J, Torres, F, Milbradt, A.G, Walser, R. | | 登録日 | 2020-10-23 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-06-19 | | 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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6E4A
 | | Crystal structure of human BRD4(1) in complex with CN750 | | 分子名称: | 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL | | 著者 | Fontano, E, White, A, Lakshminarasimhan, D, Suto, R.K. | | 登録日 | 2018-07-17 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Discovery and lead identification of quinazoline-based BRD4 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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6Q3Z
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k | | 分子名称: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-12-04 | | 公開日 | 2019-03-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity.
J.Med.Chem., 62, 2019
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6Q3Y
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16i | | 分子名称: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-12-04 | | 公開日 | 2019-03-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity.
J.Med.Chem., 62, 2019
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7RXS
 | | Crystal of BRD4(D1) with 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine | | 分子名称: | 1,2-ETHANEDIOL, 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4 | | 著者 | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2021-08-23 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
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7RXT
 | | Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine | | 分子名称: | 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4 | | 著者 | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2021-08-23 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
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7RXR
 | | Crystal Structure of BRD4(D1) with 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine | | 分子名称: | 1,2-ETHANEDIOL, 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4 | | 著者 | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2021-08-23 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
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8WYP
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2MJV
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