PDB: 336 件ウェブページステータス検索Chemie searchBIRD

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5A2S	Potent, selective and CNS-penetrant tetrasubstituted cyclopropane class IIa histone deacetylase (HDAC) inhibitors 分子名称: (1S,2S,3S)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ... 著者 Luckhurst, C.A, Breccia, P, Stott, A.J, Aziz, O, Birch, H, Burli, R.W, Hughes, S, Jarvis, R.E, Lamers, M, Leonard, P, Matthews, K.L, McAllister, G, Pollack, S, Saville-Stones, E, Wishart, G, Yates, D, Dominguez, C. 登録日 2015-05-22 公開日 2016-02-10 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Potent, Selective, and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors. Acs Med.Chem.Lett., 7, 2016
5BWZ	Crystal structure of S39E HDAC8 in complex with Droxinostat 分子名称: Droxinostat, GLYCEROL, Histone deacetylase 8, ... 著者 Decroos, C, Christianson, D.W. 登録日 2015-06-08 公開日 2016-06-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Phosphorylation of Histone Deacetylase 8: Structural and Mechanistic Analysis of the Phosphomimetic S39E Mutant. Biochemistry, 58, 2019
5D1B	Crystal structure of G117E HDAC8 in complex with TSA 分子名称: Histone deacetylase 8, POTASSIUM ION, TRICHOSTATIN A, ... 著者 Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. 登録日 2015-08-04 公開日 2015-10-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders. Biochemistry, 54, 2015
5D1C	Crystal structure of D233G-Y306F HDAC8 in complex with a tetrapeptide substrate 分子名称: GLYCEROL, HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, ... 著者 Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. 登録日 2015-08-04 公開日 2015-10-21 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.422 Å) 主引用文献 Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders. Biochemistry, 54, 2015
5D1D	Crystal structure of P91L-Y306F HDAC8 in complex with a tetrapeptide substrate 分子名称: HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, POTASSIUM ION, ... 著者 Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. 登録日 2015-08-04 公開日 2015-10-21 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.011 Å) 主引用文献 Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders. Biochemistry, 54, 2015
5DC5	Crystal structure of D176N HDAC8 in complex with M344 分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ... 著者 Decroos, C, Lee, M.S, Christianson, D.W. 登録日 2015-08-23 公開日 2016-02-03 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 General Base-General Acid Catalysis in Human Histone Deacetylase 8. Biochemistry, 55, 2016
5DC6	Crystal structure of D176N-Y306F HDAC8 in complex with a tetrapeptide substrate 分子名称: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... 著者 Decroos, C, Lee, M.S, Christianson, D.W. 登録日 2015-08-23 公開日 2016-02-03 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.553 Å) 主引用文献 General Base-General Acid Catalysis in Human Histone Deacetylase 8. Biochemistry, 55, 2016
5DC7	Crystal structure of D176A-Y306F HDAC8 in complex with a tetrapeptide substrate 分子名称: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... 著者 Decroos, C, Lee, M.S, Christianson, D.W. 登録日 2015-08-23 公開日 2016-02-03 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 General Base-General Acid Catalysis in Human Histone Deacetylase 8. Biochemistry, 55, 2016
5DC8	Crystal structure of H142A-Y306F HDAC8 in complex with a tetrapeptide substrate 分子名称: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... 著者 Decroos, C, Lee, M.S, Christianson, D.W. 登録日 2015-08-23 公開日 2016-02-03 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 General Base-General Acid Catalysis in Human Histone Deacetylase 8. Biochemistry, 55, 2016
5EDU	Crystal structure of human histone deacetylase 6 catalytic domain 2 in complex with trichostatin A 分子名称: Maltose-binding periplasmic protein, Histone deacetylase 6 chimera, POTASSIUM ION, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-22 公開日 2016-07-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.79 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EEF	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 in complex with trichostatin A 分子名称: 1,2-ETHANEDIOL, AMMONIUM ION, HDAC6, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-22 公開日 2016-07-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.151 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EEI	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with SAHA 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-22 公開日 2016-07-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EEK	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with trichostatin A 分子名称: 1,2-ETHANEDIOL, AMMONIUM ION, CHLORIDE ION, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-23 公開日 2016-07-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EEM	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 分子名称: FORMIC ACID, Hdac6 protein, POTASSIUM ION, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-23 公開日 2016-07-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EEN	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with belinostat 分子名称: Belinostat, CHLORIDE ION, Hdac6 protein, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-23 公開日 2016-07-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.861 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EF7	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with HPOB 分子名称: 4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{N}-oxidanyl-benzamide, Hdac6 protein, POTASSIUM ION, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-23 公開日 2016-07-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EF8	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with panobinostat 分子名称: 1,2-ETHANEDIOL, GLYCEROL, Hdac6 protein, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-23 公開日 2016-07-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EFB	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with oxamflatin 分子名称: Hdac6 protein, Oxamflatin, POTASSIUM ION, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-23 公開日 2016-07-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.543 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EFG	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with acetate 分子名称: ACETATE ION, Hdac6 protein, POTASSIUM ION, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-23 公開日 2016-07-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EFH	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with trifluoroketone transition state analogue 分子名称: 1,2-ETHANEDIOL, 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol, BROMIDE ION, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-23 公開日 2016-07-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.162 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EFJ	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with HC toxin 分子名称: 1,2-ETHANEDIOL, GLYCEROL, HC toxin, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-23 公開日 2016-07-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EFK	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (Y745F mutant) in complex with alpha tubulin K40 tripeptide substrate 分子名称: 1,2-ETHANEDIOL, 7-AMINO-4-METHYL-CHROMEN-2-ONE, DI(HYDROXYETHYL)ETHER, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-23 公開日 2016-07-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EFN	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (H574A) in complex with histone H4 Lys6 tripeptide substrate 分子名称: 1,2-ETHANEDIOL, 7-AMINO-4-METHYL-CHROMEN-2-ONE, Hdac6 protein, ... 著者 Hai, Y, Christianson, D.W. 登録日 2015-10-24 公開日 2016-07-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.804 Å) 主引用文献 Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5FCW	HDAC8 Complexed with a Hydroxamic Acid 分子名称: 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide, GLYCEROL, HEXAETHYLENE GLYCOL, ... 著者 Cole, K.E, Perry, K. 登録日 2015-12-15 公開日 2016-10-26 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.979 Å) 主引用文献 Structure of 'linkerless' hydroxamic acid inhibitor-HDAC8 complex confirms the formation of an isoform-specific subpocket. J.Struct.Biol., 195, 2016
5FUE	Crystal structure of Schistosoma mansoni HDAC8 complexed with 3- benzamido-benzohydroxamate 分子名称: 3-(benzoylamino)-N-oxobenzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... 著者 Marek, M, Romier, C. 登録日 2016-01-26 公開日 2016-03-09 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.199 Å) 主引用文献 Structure-Based Design and Synthesis of Novel Inhibitors Targeting Hdac8 from Schistosoma Mansoni for the Treatment of Schistosomiasis. J.Med.Chem., 59, 2016

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