PDB: 2201 件ウェブページステータス検索Chemie searchBIRD

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5EIC	Crystal structure of the bromodomain of human CREBBP in complex with AYC 分子名称: 1,2-ETHANEDIOL, 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid, CREB-binding protein 著者 Dong, J, Caflisch, A. 登録日 2015-10-29 公開日 2016-11-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 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
5EK9	Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor 分子名称: Bromodomain-containing protein 2, propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate 著者 Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Picaud, S, Fedorov, O, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2015-11-03 公開日 2016-11-16 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors. Bioorg. Med. Chem., 26, 2018
5EPB	Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49 分子名称: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-[(2~{S})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzothiazepine-7-carboxamide 著者 Dong, J, Caflisch, A. 登録日 2015-11-11 公開日 2016-11-23 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49 To Be Published
5ENG	Crystal structure of the bromodomain of human CREBBP in complex with UP39 分子名称: CREB-binding protein, methyl 2-[2-(3,5-dihydro-2~{H}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate 著者 Dong, J, Caflisch, A. 登録日 2015-11-09 公開日 2016-11-23 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.3 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
5EP7	Crystal structure of the bromodomain of human CREBBP in complex with UN32 分子名称: 3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid, CREB-binding protein 著者 Dong, J, Caflisch, A. 登録日 2015-11-11 公開日 2016-11-23 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.198 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
2N9G	Solution structure of the bromodomain of Trypanosoma brucei Bromodomain Factor 2(BDF2) 分子名称: Putative uncharacterized protein 著者 Yang, X. 登録日 2015-11-23 公開日 2016-11-23 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Solution structure of the bromodomain of Trypanosoma brucei Bromodomain Factor 2(BDF2) To be Published
5F3A	Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14 分子名称: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide 著者 Dong, J, Caflisch, A. 登録日 2015-12-02 公開日 2016-12-14 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.599 Å) 主引用文献 Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14 To Be Published
5F36	Crystal structure of the bromodomain of human ATAD2 in complex with Compound A12 分子名称: ATPase family AAA domain-containing protein 2, CHLORIDE ION, SULFATE ION, ... 著者 Dong, J, Caflisch, A. 登録日 2015-12-02 公開日 2016-12-14 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Acs Med.Chem.Lett., 11, 2020
5H85	Crystal structure of the bromodomain of human CREBBP in complex with UO37D 分子名称: CREB-binding protein, methyl 3-(7~{H}-purin-6-ylcarbamoyl)benzoate 著者 Dong, J, Caflisch, A. 登録日 2015-12-23 公開日 2017-01-11 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.701 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
5U9N	Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine 分子名称: Bromo domain containing protein, Bromosporine, SULFATE ION 著者 Hou, C.F.D, Lin, Y.H, Loppnau, P, Hutchinson, A, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) 登録日 2016-12-16 公開日 2017-01-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine To be published
5HQ7	Crystal structure of fragment bound with Brd4 分子名称: Bromodomain-containing protein 4, N-ethyl-6,7-dimethoxyquinazolin-4-amine 著者 Chen, T.T, Xu, Y.C. 登録日 2016-01-21 公開日 2017-01-25 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of fragment bound with Brd4 to be published
5HQ5	Crystal structure of fragment bound with Brd4 分子名称: 7-methyl-N-(o-tolyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine, Bromodomain-containing protein 4 著者 Chen, T.T, Xu, Y.C. 登録日 2016-01-21 公開日 2017-01-25 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of fragment bound with Brd4 to be published
5HCL	Crystal Structure of the first bromodomain of BRD4 in complex with DMA 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N},~{N}-dimethylethanamide 著者 Dong, J, Weber, F.E, Caflisch, A. 登録日 2016-01-04 公開日 2017-01-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 N,N Dimethylacetamide a drug excipient that acts as bromodomain ligand for osteoporosis treatment. Sci Rep, 7, 2017
5HQ6	Crystal structure of fragment bound with Brd4 分子名称: (2R)-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one, Bromodomain-containing protein 4 著者 Chen, T.T, Xu, Y.C. 登録日 2016-01-21 公開日 2017-01-25 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal structure of fragment bound with Brd4 to be published
5WQZ	Solution structure of a histone binding domain 分子名称: Putative uncharacterized protein 著者 Mi, J. 登録日 2016-11-29 公開日 2017-01-25 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Solution Structure Of A Histone Binding Domain To Be Published
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
5U2C	BRD4 second bromodomain (BD2) in complex with dual PI3 kinase (PI3K) inhibitor SF2558HA 分子名称: Bromodomain-containing protein 4, N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide 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 2024-03-06 実験手法 X-RAY DIFFRACTION (3.3 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
5U2E	BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2535 分子名称: Bromodomain-containing protein 4, ethyl 4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzoate 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 2024-03-06 実験手法 X-RAY DIFFRACTION (1.991 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
5U2F	BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2558HA 分子名称: Bromodomain-containing protein 4, N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide 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 2024-03-06 実験手法 X-RAY DIFFRACTION (2.525 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
5F61	Crystal structure of the first bromodomain of human BRD4 in complex with MA4-022-1 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide 著者 Ember, S.W, Zhu, J.-Y, Schonbrunn, E. 登録日 2015-12-04 公開日 2017-02-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics. Mol. Cancer Ther., 16, 2017
5F63	Crystal structure of the first bromodomain of human BRD4 in complex with SG3-179 分子名称: 1,2-ETHANEDIOL, 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 著者 Ember, S.W, Zhu, J.-Y, Schonbrunn, E. 登録日 2015-12-04 公開日 2017-02-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics. Mol. Cancer Ther., 16, 2017
5T4U	Crystal structure of the bromodomain of human BRPF1 in complex with a quinolinone ligand 分子名称: 1-METHYLQUINOLIN-2(1H)-ONE, NITRATE ION, Peregrin 著者 Tallant, C, Igoe, N, Bayle, E.D, Nunez-Alonso, G, Newman, J.A, Mathea, S, Savitsky, P, Fedorov, O, Brennan, P.E, Muller, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fish, P, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2016-08-30 公開日 2017-02-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies. J. Med. Chem., 60, 2017
5T4V	Crystal structure of the bromodomain of human BRPF1 in complex with NI-48 ligand 分子名称: 1,2-ETHANEDIOL, 4-cyano-N-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide, FORMIC ACID, ... 著者 Tallant, C, Igoe, N, Bayle, E.D, Nunez-Alonso, G, Newman, J.A, Mathea, S, Savitsky, P, Fedorov, O, Brennan, P.E, Muller, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fish, P, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2016-08-30 公開日 2017-02-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies. J. Med. Chem., 60, 2017
5F62	Crystal structure of the first bromodomain of human BRD4 in complex with MA4-022-2 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide 著者 Ember, S.W, Zhu, J.-Y, Schonbrunn, E. 登録日 2015-12-04 公開日 2017-02-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics. Mol. Cancer Ther., 16, 2017
5F60	Crystal structure of the first bromodomain of human BRD4 in complex with SG3-014 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, ... 著者 Ember, S.W, Zhu, J.-Y, Schonbrunn, E. 登録日 2015-12-04 公開日 2017-02-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics. Mol. Cancer Ther., 16, 2017

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