PDB: 2199 件ウェブページステータス検索Chemie searchBIRD

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6ZB1	C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK620 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide 著者 Chung, C. 登録日 2020-06-06 公開日 2020-08-05 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor. J.Med.Chem., 63, 2020
6Z8P	C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK973 分子名称: (2~{S},3~{S})-2-(fluoranylmethyl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide, 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ... 著者 Chung, C. 登録日 2020-06-02 公開日 2020-10-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 GSK973 Is an Inhibitor of the Second Bromodomains (BD2s) of the Bromodomain and Extra-Terminal (BET) Family. Acs Med.Chem.Lett., 11, 2020
6Z7F	C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, DI(HYDROXYETHYL)ETHER, ... 著者 Chung, C. 登録日 2020-05-30 公開日 2020-07-29 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.605 Å) 主引用文献 Design and Synthesis of a Highly Selective andIn Vivo-Capable Inhibitor of the Second Bromodomain of the Bromodomain and Extra Terminal Domain Family of Proteins. J.Med.Chem., 63, 2020
6Z7L	N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with GSK789 分子名称: (3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-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 (1.624 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
6ZB2	C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK549 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, DI(HYDROXYETHYL)ETHER, ... 著者 Chung, C. 登録日 2020-06-06 公開日 2020-08-05 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.282 Å) 主引用文献 The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor. J.Med.Chem., 63, 2020
6ZB3	N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH GSK620 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, PENTAETHYLENE GLYCOL, ... 著者 Chung, C. 登録日 2020-06-06 公開日 2020-08-05 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.419 Å) 主引用文献 The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor. J.Med.Chem., 63, 2020
6ZS3	Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol 分子名称: 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Protein polybromo-1 著者 Preuss, F, Joerger, A.C, Wanior, M, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2020-07-15 公開日 2020-10-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
6ZN6	Protein polybromo-1 (PB1 BD2) Bound To MW278 分子名称: 1,2-ETHANEDIOL, 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol, Protein polybromo-1 著者 Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S. 登録日 2020-07-06 公開日 2020-08-26 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
6ZNV	Protein polybromo-1 (PB1 BD2) Bound To DP28 分子名称: 1,2-ETHANEDIOL, 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol, ACETATE ION, ... 著者 Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S. 登録日 2020-07-06 公開日 2020-08-26 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
6ZS2	Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol 分子名称: 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Transcription activator BRG1 著者 Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2020-07-15 公開日 2020-10-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
6ZS4	Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate 分子名称: 1,2-ETHANEDIOL, Protein polybromo-1, tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate 著者 Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2020-07-15 公開日 2020-10-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
7A9U	N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide 分子名称: 1,2-ETHANEDIOL, 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide, Bromodomain-containing protein 4 著者 Chung, C. 登録日 2020-09-02 公開日 2020-10-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.444 Å) 主引用文献 A Photoaffinity-Based Fragment-Screening Platform for Efficient Identification of Protein Ligands. Angew.Chem.Int.Ed.Engl., 59, 2020
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
7AJN	Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide 著者 Picaud, S, Hassel-Hart, S, Tobias, K, Spencer, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P. 登録日 2020-09-29 公開日 2020-12-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand To Be Published
7AV8	Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212 分子名称: 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, Structural Genomics Consortium (SGC) 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 (1.63 Å) 主引用文献 Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212 To Be Published
7AXR	Crystal structure of BRD4(1) bound to the dual BET-HDAC inhibitor LSH24 分子名称: 4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 著者 Huegle, M. 登録日 2020-11-10 公開日 2021-10-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 4-Acyl Pyrrole Capped HDAC Inhibitors: A New Scaffold for Hybrid Inhibitors of BET Proteins and Histone Deacetylases as Antileukemia Drug Leads. J.Med.Chem., 64, 2021
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
7AMH	SmBRD3(2), Second Bromodomain of Bromodomain 3 from Schistosoma mansoni in complex with DM-A-33, an iBET726 analogue 分子名称: 4-{(2S, 4R)-1-acetyl-4-[(1-benzothiophen-6-yl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl}benzoic acid, Putative bromodomain-containing protein 3, ... 著者 McArdle, D, 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 (1.863 Å) 主引用文献 SBM3_2, Second Bromodomain of Bromodomain 3 from Schistosoma mansoni in complex with DM1, an iBET726 analogue To Be Published
7B7B	BAZ2A bromodomain in complex with triazole compound MS04 分子名称: 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole, Bromodomain adjacent to zinc finger domain protein 2A 著者 Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. 登録日 2020-12-10 公開日 2021-10-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
7B7G	BAZ2A bromodomain in complex with compounds MS04 and B11 分子名称: 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine, 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole, Bromodomain adjacent to zinc finger domain protein 2A 著者 Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. 登録日 2020-12-10 公開日 2021-10-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.428 Å) 主引用文献 Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
7B7I	BAZ2A bromodomain in complex with triazole compound MS04-TN02 分子名称: 2-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]ethanamide, Bromodomain adjacent to zinc finger domain protein 2A 著者 Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. 登録日 2020-12-10 公開日 2021-10-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
7B82	BAZ2A bromodomain in complex with triazole compound MS04-TN03 分子名称: (2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A 著者 Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. 登録日 2020-12-12 公開日 2021-10-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
7AQT	NMR2 structure of BRD4-BD2 in complex with iBET-762 分子名称: 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 4 著者 Orts, J, Torres, F, Milbradt, A.G, Walser, R. 登録日 2020-10-23 公開日 2022-03-02 最終更新日 2022-04-27 実験手法 SOLUTION NMR 主引用文献 NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24. J.Med.Chem., 65, 2022
7B1T	Crystal structure of BRD4(1) in complex with the inhibitor MPM6 分子名称: 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE 著者 Huegle, M. 登録日 2020-11-25 公開日 2022-06-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 A novel pan-selective bromodomain inhibitor for epigenetic drug design. Eur.J.Med.Chem., 249, 2023
7BBO	Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P212121 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, 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, Structural Genomics Consortium (SGC) 登録日 2020-12-18 公開日 2021-03-03 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212 To Be Published

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