8B5H
 
 | | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (R)-7-((R)-1,2-dihydroxyethyl)-1,3-dimethyl-5-(1-methyl-1H-pyrazol-4-yl)-1,3-dihydro-2H-benzo[d]azepin-2-one | | 分子名称: | (1~{R})-7-[(1~{R})-1,2-bis(oxidanyl)ethyl]-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1~{H}-3-benzazepin-2-one, 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ... | | 著者 | Chung, C. | | 登録日 | 2022-09-22 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.603 Å) | | 主引用文献 | Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432.
J.Med.Chem., 65, 2022
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8B5C
 | | Human BRD4 bromdomain 1 in complex with a H4 peptide containing ApmTri (H4K5/8ApmTri) | | 分子名称: | Bromodomain-containing protein 4, H4K5/8ApmTri | | 著者 | Braun, M.B, Bartlick, N, Stehle, T. | | 登録日 | 2022-09-22 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8B5B
 | | Human BRD4 bromdomain 1 in complex with a H4 peptide containing acetyl lysine and ApmTri (H4K5acK8ApmTri) | | 分子名称: | Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, H4K5acK8ApmTri | | 著者 | Braun, M.B, Bartlick, N, Stehle, T. | | 登録日 | 2022-09-22 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8B5A
 | | Human BRD3 bromodomain 2 in complex with a H4 peptide containing ApmTri (H4K20ApmTri) | | 分子名称: | Bromodomain-containing protein 3, H4K20ApmTri | | 著者 | Braun, M.B, Bartlick, N, Stehle, T. | | 登録日 | 2022-09-22 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8GXQ
 | | PIC-Mediator in complex with +1 nucleosome (T40N) in MH-binding state | | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | 著者 | Chen, X, Wang, X, Liu, W, Ren, Y, Qu, X, Li, J, Yin, X, Xu, Y. | | 登録日 | 2022-09-21 | | 公開日 | 2022-11-02 | | 実験手法 | ELECTRON MICROSCOPY (5.04 Å) | | 主引用文献 | Structures of +1 nucleosome-bound PIC-Mediator complex.
Science, 378, 2022
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8GXS
 | | PIC-Mediator in complex with +1 nucleosome (T40N) in H-binding state | | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | 著者 | Chen, X, Wang, X, Liu, W, Ren, Y, Qu, X, Li, J, Yin, X. | | 登録日 | 2022-09-21 | | 公開日 | 2022-11-02 | | 実験手法 | ELECTRON MICROSCOPY (4.16 Å) | | 主引用文献 | Structures of +1 nucleosome-bound PIC-Mediator complex.
Science, 378, 2022
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8EAD
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8GQ0
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with STL233497 | | 分子名称: | Bromodomain-containing protein 4, FORMIC ACID, GLYCEROL, ... | | 著者 | Park, T.H, Lee, B.I. | | 登録日 | 2022-08-27 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.44 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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8GPZ
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with C239-0012 | | 分子名称: | 3-methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4, FORMIC ACID, ... | | 著者 | Park, T.H, Lee, B.I. | | 登録日 | 2022-08-27 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.528 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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8E3W
 | | BRD4-D1 in complex with BET inhibitor | | 分子名称: | (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W. | | 登録日 | 2022-08-17 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
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8E17
 | | BRD4-D1 in complex with BET inhibitor | | 分子名称: | (4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W. | | 登録日 | 2022-08-09 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 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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8DYR
 | | BRD4-D1 in complex with BET inhibitor | | 分子名称: | (4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W. | | 登録日 | 2022-08-04 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
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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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7YL2
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004 | | 分子名称: | Bromodomain-containing protein 4, GLYCEROL, N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide, ... | | 著者 | Huang, Y, Wei, A, Dong, R, Xu, H, Zhang, C, Chen, Z, Li, J, Wu, X, Zhang, Y, Xu, Y. | | 登録日 | 2022-07-25 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004
To Be Published
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8AHC
 | | Crystal structure of the BRD9 bromodomain with BI-7189 | | 分子名称: | Bromodomain-containing protein 9, [2,6-dimethoxy-4-(1,2,5-trimethyl-6-oxidanylidene-pyridin-3-yl)phenyl]methyl-dimethyl-azanium | | 著者 | Bader, G, Boettcher, J, Weiss-Puxbaum, A. | | 登録日 | 2022-07-21 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.504 Å) | | 主引用文献 | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments.
Chemmedchem, 18, 2023
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8AG2
 | | Crystal structure of the BPTF bromodomain in complex with BI-7190 | | 分子名称: | 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one, Nucleosome-remodeling factor subunit BPTF | | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | | 登録日 | 2022-07-19 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.025 Å) | | 主引用文献 | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments.
Chemmedchem, 18, 2023
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8DNQ
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7Y8R
 | | The nucleosome-bound human PBAF complex | | 分子名称: | ACTB protein (Fragment), ADENOSINE-5'-DIPHOSPHATE, AT-rich interactive domain-containing protein 2, ... | | 著者 | Wang, L, Yu, J, Yu, Z, Wang, Q, He, S, Xu, Y. | | 登録日 | 2022-06-24 | | 公開日 | 2022-12-07 | | 最終更新日 | 2022-12-21 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Structure of nucleosome-bound human PBAF complex.
Nat Commun, 13, 2022
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8A7I
 | | Crystal structure of BRD9 bromodomain in complex with compound EA-89 | | 分子名称: | Bromodomain-containing protein 9, ~{N}-[1,1-bis(oxidanylidene)thian-4-yl]-7-[3-methyl-1-(piperidin-4-ylmethyl)indol-5-yl]-4-oxidanylidene-5-propyl-thieno[3,2-c]pyridine-2-carboxamide | | 著者 | Faller, M, Zink, F. | | 登録日 | 2022-06-21 | | 公開日 | 2022-08-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | BRD9 degraders as chemosensitizers in acute leukemia and multiple myeloma.
Blood Cancer J, 12, 2022
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8CZA
 | | Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-IV-075 | | 分子名称: | 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide, Bromodomain testis-specific protein, SODIUM ION | | 著者 | Chan, A, Schonbrunn, E. | | 登録日 | 2022-05-24 | | 公開日 | 2022-08-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
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8CV7
 | | Peptide 2.2E in complex with BRD2-BD2 | | 分子名称: | ACETYL GROUP, AMINO GROUP, Isoform 3 of Bromodomain-containing protein 2, ... | | 著者 | Franck, C, Mackay, J.P. | | 登録日 | 2022-05-18 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
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8CV6
 | | Peptide 4.2B in complex with BRD4.2 | | 分子名称: | ACETYL GROUP, AMINO GROUP, BRD4 protein, ... | | 著者 | Franck, C, Mackay, J.P. | | 登録日 | 2022-05-18 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
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8CV4
 | | Peptide 4.2C in complex with BRD4.2 | | 分子名称: | ACETYL GROUP, AMINO GROUP, BRD4 protein, ... | | 著者 | Franck, C, Mackay, J.P. | | 登録日 | 2022-05-18 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
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8CV5
 | | Peptide 4.2B in complex with BRD3.2 | | 分子名称: | ACETYL GROUP, AMINO GROUP, Bromodomain-containing protein 3, ... | | 著者 | Franck, C, Mackay, J.P. | | 登録日 | 2022-05-18 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
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