7EIG
 
 | | BRD4-BD1 in complex with LT-730-903 | | 分子名称: | 1-[5-(5-azanyl-1H-benzimidazol-2-yl)-2-methyl-4-phenyl-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4 | | 著者 | Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y. | | 登録日 | 2021-03-31 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | BRD4-BD1 in complex with LT-730-903
To Be Published
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7V1U
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZJ12 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide | | 著者 | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | | 登録日 | 2021-08-06 | | 公開日 | 2022-08-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.82 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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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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7USK
 | | BRD4-BD2 Ligand free | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE | | 著者 | Jayasinghe, T.D, Ronning, D.R. | | 登録日 | 2022-04-25 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
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7USJ
 | | BRD4-BD2 in complex with SF2523 | | 分子名称: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4 | | 著者 | Jayasinghe, T.D, Ronning, D.R. | | 登録日 | 2022-04-25 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
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6JJ6
 | | BRD4 in complex with 500 | | 分子名称: | 1-methyl-6-(3-(4-methylpiperazine-1-carbonyl)benzyl)-1,2a1,5a,6-tetrahydro-2H-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-2-one, Bromodomain-containing protein 4 | | 著者 | Xu, J, Chen, Y, Jiang, F, Zhu, J. | | 登録日 | 2019-02-25 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | BRD4 in complex with ZZM1
To Be Published
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6JJ5
 | | BRD4 in complex with 259 | | 分子名称: | 3-((1-methyl-2-oxo-1,2,2a1,5a-tetrahydro-6H-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-6-yl)methyl)benzamide, Bromodomain-containing protein 4 | | 著者 | Xu, J, Chen, Y, Jiang, F, Zhu, J. | | 登録日 | 2019-02-25 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | BRD4 in complex with ZZM1
To Be Published
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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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6JI4
 | | brd4-bd1 bound with ligand 138 | | 分子名称: | (3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-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 (1.6 Å) | | 主引用文献 | brd4-bd1 bound with ligand 138
To Be Published
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6JI5
 | | brd4-bd1 bound with ligand 167 | | 分子名称: | (3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-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 Å) | | 主引用文献 | brd4-bd1 bound with ligand 167
To Be Published
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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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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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6KED
 | | BRD4 Bromodomain1 with an inhibitor | | 分子名称: | 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-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 (2.548447 Å) | | 主引用文献 | BRD4 Bromodomain1 with an inhibitor
To Be Published
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7KHL
 | | BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate) | | 分子名称: | Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate | | 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 (1.286 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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5U28
 | | BRD4 first bromodomain (BD1) in complex with dual PI3 kinase inhibitor SF2523 | | 分子名称: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Andrews, F.H, Kutateladze, T.G. | | 登録日 | 2016-11-30 | | 公開日 | 2017-02-08 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | | 主引用文献 | Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U2F
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5U2E
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5U2C
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7YMG
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 2-({3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}amino)-3-(1H-indol-3-yl)propan-1-ol | | 分子名称: | (2S)-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1H-indol-3-yl)propan-1-ol, Bromodomain-containing protein 4, FORMIC ACID, ... | | 著者 | Kim, J.H, Lee, B.I. | | 登録日 | 2022-07-28 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal structure of [1,2,4]triazolo[4,3-b]pyridazine derivatives as BRD4 bromodomain inhibitors and structure-activity relationship study.
Sci Rep, 13, 2023
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7YQ9
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine | | 分子名称: | Bromodomain-containing protein 4, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Kim, J.H, Lee, B.I. | | 登録日 | 2022-08-05 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal structure of [1,2,4]triazolo[4,3-b]pyridazine derivatives as BRD4 bromodomain inhibitors and structure-activity relationship study.
Sci Rep, 13, 2023
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7ZAA
 | | BRD4 in complex with FragLite11 | | 分子名称: | GLYCEROL, Isoform C of Bromodomain-containing protein 4, ~{N}-(4-bromophenyl)ethanamide | | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | 登録日 | 2022-03-22 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.15 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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7ZAJ
 | | BRD4 in complex with FragLite16 | | 分子名称: | 4-bromanyl-1,8-naphthyridine, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | 登録日 | 2022-03-22 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1 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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7ZAT
 | | BRD4 in complex with FragLite20 | | 分子名称: | 4-bromanyl-2-(methoxymethyl)pyridine, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | 登録日 | 2022-03-22 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.15 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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7ZA6
 | | BRD4 in complex with FragLite4 | | 分子名称: | 4-bromanylpyridin-2-amine, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | 登録日 | 2022-03-22 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.12 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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7ZAD
 | | BRD4 in complex with FragLite12 | | 分子名称: | 4-iodanylbenzamide, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | 登録日 | 2022-03-22 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.07 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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