5S8Z
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | 分子名称: | N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | 登録日 | 2021-01-22 | 公開日 | 2021-02-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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7RJP
| Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with SHMT | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | 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 (1.25 Å) | 主引用文献 | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization To Be Published
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6G0R
| Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated POLR2A peptide (K775ac/K778ac) | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DNA-directed RNA polymerase II subunit RPB1 | 著者 | Filippakopoulos, P, Picaud, S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | 登録日 | 2018-03-19 | 公開日 | 2018-11-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
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4IOO
| Crystal Structure of the first bromodomain of BRD4 in complex with N-methyltrimethylacetamide | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | 著者 | Lolli, G, Battistutta, R. | 登録日 | 2013-01-08 | 公開日 | 2013-10-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Different orientations of low-molecular-weight fragments in the binding pocket of a BRD4 bromodomain. Acta Crystallogr.,Sect.D, 69, 2013
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8P9K
| Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB503 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | 著者 | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-06 | 公開日 | 2023-07-05 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB503 to be published
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5OWK
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7VS0
| crystal structure of BRD2-BD2 in complex with purine derivative | 分子名称: | Bromodomain-containing protein 2, Doxofylline, GLYCEROL | 著者 | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | 登録日 | 2021-10-25 | 公開日 | 2023-02-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family. Acta Crystallogr D Struct Biol, 79, 2023
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7VS1
| crystal structure of BRD2-BD2 in complex with purine derivative | 分子名称: | 3-methyl-7-propyl-purine-2,6-dione, Bromodomain-containing protein 2, GLYCEROL | 著者 | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S. | 登録日 | 2021-10-25 | 公開日 | 2023-02-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family. Acta Crystallogr D Struct Biol, 79, 2023
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4PCI
| Crystal Structure of the first bromodomain of BRD4 in complex with B16 | 分子名称: | (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Dong, J, Caflisch, A. | 登録日 | 2014-04-15 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.25 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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6K04
| Crystal structure of BRD2(BD2)with ligand BY27 bound | 分子名称: | (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, Bromodomain-containing protein 2 | 著者 | Lu, T, Lu, W, Chen, D, Zhao, Y, Luo, C. | 登録日 | 2019-05-05 | 公開日 | 2019-09-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.251 Å) | 主引用文献 | Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins. Eur.J.Med.Chem., 182, 2019
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4PKL
| Bromodomain of Trypanosoma brucei BDF2 With IBET-151 | 分子名称: | 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, Bromodomain factor 2, CHLORIDE ION, ... | 著者 | Debler, E.W. | 登録日 | 2014-05-15 | 公開日 | 2015-11-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.251 Å) | 主引用文献 | Bromodomain Proteins Contribute to Maintenance of Bloodstream Form Stage Identity in the African Trypanosome. Plos Biol., 13, 2015
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5RKH
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z31432917 | 分子名称: | 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone, PH-interacting protein | 著者 | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | 登録日 | 2020-06-02 | 公開日 | 2020-06-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.252 Å) | 主引用文献 | PanDDA analysis group deposition of ground-state model To Be Published
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7MLS
| X-ray crystal structure of human BRD4(D1) in complex with 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine (compound 23) | 分子名称: | 1,2-ETHANEDIOL, 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine, Bromodomain-containing protein 4, ... | 著者 | Cui, H, Johnson, J.A, Zahid, H, Buchholz, C.R, Shi, K, Aihara, H, Pomerantz, W.C.K. | 登録日 | 2021-04-28 | 公開日 | 2021-07-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity. J.Med.Chem., 64, 2021
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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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7FVM
| PanDDA analysis group deposition -- PHIP in complex with Z1590917771 | 分子名称: | 4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide, PH-interacting protein | 著者 | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | 登録日 | 2023-03-09 | 公開日 | 2023-03-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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6Z7M
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 (3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide | 分子名称: | (3R,4R)-N-cyclohexyl-4-((3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)amino)piperidine-3-carboxamide, Bromodomain-containing protein 4 | 著者 | Chung, C. | 登録日 | 2020-05-31 | 公開日 | 2020-07-29 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 63, 2020
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5S8D
| XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00539e (space group C2) | 分子名称: | PH-interacting protein, methyl quinoline-6-carboxylate | 著者 | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | 登録日 | 2020-12-17 | 公開日 | 2021-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | XChem group deposition To Be Published
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5RKF
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1674937530 | 分子名称: | 2-(1-ethyl-1H-pyrazol-4-yl)ethan-1-ol, PH-interacting protein | 著者 | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | 登録日 | 2020-06-02 | 公開日 | 2020-06-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.264 Å) | 主引用文献 | PanDDA analysis group deposition of ground-state model To Be Published
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5RKI
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 | 分子名称: | 4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | 著者 | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | 登録日 | 2020-06-02 | 公開日 | 2020-06-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.268 Å) | 主引用文献 | PanDDA analysis group deposition of ground-state model To Be Published
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5WMD
| N-terminal bromodomain of BRD4 in complex with OTX-015 | 分子名称: | 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]-N-(4-hydroxyphenyl)acetamide, Bromodomain-containing protein 4 | 著者 | Zhang, Y. | 登録日 | 2017-07-28 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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4Z93
| BRD4 bromodomain 2 in complex with gamma-carboline-containing compound, number 18. | 分子名称: | 1,2-ETHANEDIOL, 1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole, Bromodomain-containing protein 4 | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2015-04-09 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Structure-Based Design of gamma-Carboline Analogues as Potent and Specific BET Bromodomain Inhibitors. J.Med.Chem., 58, 2015
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5RJR
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z45705015 | 分子名称: | PH-interacting protein, ~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide | 著者 | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | 登録日 | 2020-06-02 | 公開日 | 2020-06-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | PanDDA analysis group deposition of ground-state model To Be Published
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5KTX
| CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | 分子名称: | 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, CREB-binding protein, ... | 著者 | Murray, J.M, Noland, C. | 登録日 | 2016-07-12 | 公開日 | 2016-11-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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7USH
| BRD2-BD2 in complex with SF2523 | 分子名称: | 1,2-ETHANEDIOL, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 2 | 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 (1.27 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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5RK1
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1507502062 | 分子名称: | 6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, PH-interacting protein | 著者 | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | 登録日 | 2020-06-02 | 公開日 | 2020-06-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.271 Å) | 主引用文献 | PanDDA analysis group deposition of ground-state model To Be Published
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