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

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3SFH	Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor 分子名称: (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2H-isoindol-2-yl)propan-1-one, ACETATE ION, Histone deacetylase 8, ... 著者 Stams, T, Vash, B. 登録日 2011-06-13 公開日 2011-07-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors. Bioorg.Med.Chem., 19, 2011
6G3O	Crystal structure of human HDAC2 in complex with (R)-6-[3,4-Dioxo-2-(4-trifluoromethoxy-phenylamino)-cyclobut-1-enylamino]-heptanoic acid hydroxyamide 分子名称: (6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide, CALCIUM ION, Histone deacetylase 2, ... 著者 Isabet, T, Aurelly, M, Chantalat, L, Thoreau, E. 登録日 2018-03-26 公開日 2018-06-27 最終更新日 2018-08-29 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Squaramides as novel class I and IIB histone deacetylase inhibitors for topical treatment of cutaneous t-cell lymphoma. Bioorg. Med. Chem. Lett., 28, 2018
3SFF	Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor 分子名称: (2R)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one, Histone deacetylase 8, POTASSIUM ION, ... 著者 Stams, T, Vash, B. 登録日 2011-06-13 公開日 2011-07-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors. Bioorg.Med.Chem., 19, 2011
6GX3	Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 1 分子名称: 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... 著者 Shaik, T.B, Marek, M, Romier, C. 登録日 2018-06-26 公開日 2018-08-15 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis. ChemMedChem, 13, 2018
6GJK	A degradation product of PD 404182 (P2742) bound to Histone Deacetylase-like Amidohydrolase 分子名称: 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol, ACETATE ION, D-MALATE, ... 著者 Kraemer, A, Meyer-Almes, F.J. 登録日 2018-05-16 公開日 2019-01-16 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Covalent inhibition of histone deacetylase 8 by 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine. Biochim Biophys Acta Gen Subj, 1863, 2019
3Q9C	Crystal Structure of H159A APAH complexed with N8-acetylspermidine 分子名称: Acetylpolyamine amidohydrolase, N-{4-[(3-aminopropyl)amino]butyl}acetamide, POTASSIUM ION, ... 著者 Lombardi, P.M, Christianson, D.W. 登録日 2011-01-07 公開日 2011-03-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure of prokaryotic polyamine deacetylase reveals evolutionary functional relationships with eukaryotic histone deacetylases . Biochemistry, 50, 2011
5ZOP	Crystal structure of histone deacetylase 4 (HDAC4) in complex with a SMRT corepressor SP2 fragment 分子名称: Histone deacetylase 4, POTASSIUM ION, SMRT corepressor SP2 fragment, ... 著者 Park, S.Y, Hwang, H.J, Kim, J.S. 登録日 2018-04-13 公開日 2018-10-10 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.698 Å) 主引用文献 Structural basis of the specific interaction of SMRT corepressor with histone deacetylase 4. Nucleic Acids Res., 46, 2018
3Q9E	Crystal structure of H159A APAH complexed with acetylspermine 分子名称: Acetylpolyamine amidohydrolase, N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide, POTASSIUM ION, ... 著者 Lombardi, P.M, Christianson, D.W. 登録日 2011-01-07 公開日 2011-03-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure of prokaryotic polyamine deacetylase reveals evolutionary functional relationships with eukaryotic histone deacetylases . Biochemistry, 50, 2011
7SGJ	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with DKFZ-711 分子名称: 1,2-ETHANEDIOL, 4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide, DI(HYDROXYETHYL)ETHER, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2021-10-05 公開日 2022-10-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout. J.Am.Chem.Soc., 144, 2022
7SGI	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Inhibitor 14 分子名称: 5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide, PHOSPHATE ION, POTASSIUM ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2021-10-05 公開日 2022-10-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout. J.Am.Chem.Soc., 144, 2022
7SGG	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with SAHA 分子名称: DI(HYDROXYETHYL)ETHER, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, PHOSPHATE ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2021-10-05 公開日 2022-10-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout. J.Am.Chem.Soc., 144, 2022
7SGK	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with DKFZ-728 分子名称: N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide, PHOSPHATE ION, POTASSIUM ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2021-10-05 公開日 2022-10-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout. J.Am.Chem.Soc., 144, 2022
7U69	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-acrylhydroxamic Acid Inhibitor 分子名称: (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2022-03-03 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells. Eur.J.Med.Chem., 234, 2022
7U3M	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with N-methylpiperazine Benzhydroxamic Acid 分子名称: N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide, PHOSPHATE ION, POTASSIUM ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2022-02-27 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells. Eur.J.Med.Chem., 234, 2022
7U6B	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Indolethyl Piperidine-4-acrylhydroxamic Acid Inhibitor 分子名称: (2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2022-03-03 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells. Eur.J.Med.Chem., 234, 2022
7U6A	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 3-thienylmethyl Benzhydroxamic Acid Inhibitor 分子名称: 1,2-ETHANEDIOL, N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide, PHOSPHATE ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2022-03-03 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells. Eur.J.Med.Chem., 234, 2022
4BZ8	Crystal structure of Schistosoma mansoni HDAC8 complexed with J1038 分子名称: (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbohydroxamic acid, HISTONE DEACETYLASE 8, POTASSIUM ION, ... 著者 Marek, M, Romier, C. 登録日 2013-07-24 公開日 2013-08-14 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni. Plos Pathog., 9, 2013
7P3S	Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 12 分子名称: GLYCEROL, Histone deacetylase, POTASSIUM ION, ... 著者 Shaik, T.B, Romier, C. 登録日 2021-07-08 公開日 2021-09-15 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.546 Å) 主引用文献 Synthesis, structure-activity relationships, cocrystallization and cellular characterization of novel smHDAC8 inhibitors for the treatment of schistosomiasis. Eur.J.Med.Chem., 225, 2021
4BZ9	Crystal structure of Schistosoma mansoni HDAC8 complexed with J1075 分子名称: 3-chlorobenzothiophene-2-carbohydroxamic acid, DIMETHYLFORMAMIDE, GLYCEROL, ... 著者 Marek, M, Romier, C. 登録日 2013-07-24 公開日 2013-08-14 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni. Plos Pathog., 9, 2013
4BZ5	Crystal structure of Schistosoma mansoni HDAC8 分子名称: HISTONE DEACETYLASE 8, L(+)-TARTARIC ACID, POTASSIUM ION, ... 著者 Marek, M, Romier, C. 登録日 2013-07-24 公開日 2013-08-14 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.785 Å) 主引用文献 Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni. Plos Pathog., 9, 2013
4CQF	Crystal structure of Schistosoma mansoni HDAC8 complexed with a mercaptoacetamide inhibitor 分子名称: 6-(2-Mercaptoacetylamino)-N-phenylhexanamide, DIMETHYLFORMAMIDE, GLYCEROL, ... 著者 Marek, M, Romier, C. 登録日 2014-02-14 公開日 2014-04-02 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Molecular Basis for the Anti-Parasitic Activity of a Mercaptoacetamide Derivative that Inhibits Histone Deacetylase 8 (Hdac8) from the Human Pathogen Schistosoma Mansoni J.Mol.Biol., 426, 2014
6ZW1	X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101 分子名称: 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide, GLYCEROL, Histone deacetylase 6, ... 著者 Barinka, C, Motlova, L, Ustinova, K. 登録日 2020-07-27 公開日 2021-08-04 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot-Marie-Tooth Type 2A Mouse Model. J.Med.Chem., 64, 2021
7P2V	Crystal structure of Schistosoma mansoni HDAC8 in complex with a 4-chlorophenyl-spiroindoline capped hydroxamate-based inhibitor, bound to a novel site 分子名称: 5-[[(2S)-2-(4-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, DI(HYDROXYETHYL)ETHER, Histone deacetylase 8, ... 著者 Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. 登録日 2021-07-06 公開日 2022-07-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors. J.Biol.Chem., 298, 2022
7P2T	Tetartohedrally twinned crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, bromine derivative 分子名称: 5-[[(2R)-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ... 著者 Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. 登録日 2021-07-06 公開日 2022-07-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors. J.Biol.Chem., 298, 2022
7P2U	Crystal structure of Schistosoma mansoni HDAC8 in complex with a 3-chlorophenyl-spiroindoline capped hydroxamate-based inhibitor, bound to a novel site 分子名称: 5-[[(2R)-2-(3-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ... 著者 Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. 登録日 2021-07-06 公開日 2022-07-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors. J.Biol.Chem., 298, 2022

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