5RJK
 
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00024661 | | 分子名称: | 5-bromo-2-hydroxybenzonitrile, 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 (1.21 Å) | | 主引用文献 | PanDDA analysis group deposition of ground-state model
To Be Published
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5S8J
 | | XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01207d (space group C2) | | 分子名称: | 5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide, PH-interacting protein | | 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 (1.21 Å) | | 主引用文献 | XChem group deposition
To Be Published
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5S95
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | 4-(5-chlorofuran-2-carbonyl)-N-(cyclopropylmethyl)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 (1.21 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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6PS9
 | | Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 17 (5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one) | | 分子名称: | 5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one, Bromodomain-containing protein 4 | | 著者 | Ilyichova, O.V, Scanlon, M.J. | | 登録日 | 2019-07-12 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition.
Bioorg.Med.Chem., 27, 2019
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5I29
 | | TAF1(2) bound to a pyrrolopyridone compound | | 分子名称: | CALCIUM ION, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1 | | 著者 | Tang, Y, Poy, F, Bellon, S.F. | | 登録日 | 2016-02-08 | | 公開日 | 2016-06-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
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7AMC
 | | SmBRD3(2), Bromodomain 2 of the Bromodomain 3 protein from Schistosoma mansoni in complex with iBET726 | | 分子名称: | 1,2-ETHANEDIOL, 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, GLYCEROL, ... | | 著者 | Schiedel, M, McDonough, M.A, Conway, S.J. | | 登録日 | 2020-10-08 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | SBM3, Bromodomain 3 from Schistosoma mansoni in complex with iBET726
To Be Published
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7FUX
 | | PanDDA analysis group deposition -- PHIP in complex with Z183480798 | | 分子名称: | 4-(furan-2-carbonyl)-N-(prop-2-yn-1-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 (1.22 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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6YIL
 | | Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand | | 分子名称: | (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide, CREBBP | | 著者 | Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P. | | 登録日 | 2020-04-01 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
To Be Published
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5RJO
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00023827 | | 分子名称: | 6-bromo-1,3-dihydro-2H-indol-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 (1.22 Å) | | 主引用文献 | PanDDA analysis group deposition of ground-state model
To Be Published
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5S8R
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | N-butyl-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 (1.22 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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5S8S
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | N-(2-fluoro-4-methoxyphenyl)-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 (1.22 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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5S8T
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | N-(1,3-benzoxazol-2-yl)-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 (1.22 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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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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6YIM
 | | Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand | | 分子名称: | (4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide, CREBBP | | 著者 | Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P. | | 登録日 | 2020-04-01 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
To Be Published
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5MMG
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5MPN
 | | Crystal structure of CREBBP bromodomain complexed with FA26 | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone, CREB-binding protein | | 著者 | Zhu, J, Caflisch, A. | | 登録日 | 2016-12-16 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
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5RKN
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z373768900 | | 分子名称: | N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide, 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 (1.23 Å) | | 主引用文献 | PanDDA analysis group deposition of ground-state model
To Be Published
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7ZE7
 | | BRD4 in complex with FragLite21 | | 分子名称: | 5-bromo-2-hydroxybenzonitrile, Bromodomain-containing protein 4, GLYCEROL | | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | 登録日 | 2022-03-30 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.23 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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5S8L
 | | XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E11289c (space group C2) | | 分子名称: | 1-METHYLQUINOLIN-2(1H)-ONE, PH-interacting protein | | 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 (1.23 Å) | | 主引用文献 | XChem group deposition
To Be Published
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5S8N
 | | XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E07179c (space group C2) | | 分子名称: | 3-methyl-3,4-dihydroquinazolin-2(1H)-one, PH-interacting protein | | 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 (1.23 Å) | | 主引用文献 | XChem group deposition
To Be Published
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6CD4
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG046 | | 分子名称: | 1,2-ETHANEDIOL, 2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | | 著者 | Xu, X, Blacklow, S.C. | | 登録日 | 2018-02-08 | | 公開日 | 2018-08-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
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7K6S
 | | Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 4 (SKT1174) | | 分子名称: | (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Chan, A, Schonbrunn, E. | | 登録日 | 2020-09-21 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development.
Org.Biomol.Chem., 18, 2020
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8P9I
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB462 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-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 (1.23 Å) | | 主引用文献 | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB462
to be published
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7AV9
 | | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 | | 分子名称: | 1,2-ETHANEDIOL, PH-interacting protein | | 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 | 2020-11-04 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2
To Be Published
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5RK2
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z54633859 | | 分子名称: | 2-[methyl(pyridin-2-yl)amino]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 (1.235 Å) | | 主引用文献 | PanDDA analysis group deposition of ground-state model
To Be Published
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