PDB: 336 resultsInfo pagesStatus searchChemie searchBIRD

---

3SFH	Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor Descriptor: (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2H-isoindol-2-yl)propan-1-one, ACETATE ION, Histone deacetylase 8, ... Authors: Stams, T, Vash, B. Deposit date: 2011-06-13 Release date: 2011-07-20 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.7 Å) Cite: 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 Descriptor: (6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide, CALCIUM ION, Histone deacetylase 2, ... Authors: Isabet, T, Aurelly, M, Chantalat, L, Thoreau, E. Deposit date: 2018-03-26 Release date: 2018-06-27 Last modified: 2018-08-29 Method: X-RAY DIFFRACTION (2.27 Å) Cite: 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 Descriptor: (2R)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one, Histone deacetylase 8, POTASSIUM ION, ... Authors: Stams, T, Vash, B. Deposit date: 2011-06-13 Release date: 2011-07-20 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2 Å) Cite: 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 Descriptor: 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... Authors: Shaik, T.B, Marek, M, Romier, C. Deposit date: 2018-06-26 Release date: 2018-08-15 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.1 Å) Cite: 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 Descriptor: 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol, ACETATE ION, D-MALATE, ... Authors: Kraemer, A, Meyer-Almes, F.J. Deposit date: 2018-05-16 Release date: 2019-01-16 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.47 Å) Cite: 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 Descriptor: Acetylpolyamine amidohydrolase, N-{4-[(3-aminopropyl)amino]butyl}acetamide, POTASSIUM ION, ... Authors: Lombardi, P.M, Christianson, D.W. Deposit date: 2011-01-07 Release date: 2011-03-02 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: 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 Descriptor: Histone deacetylase 4, POTASSIUM ION, SMRT corepressor SP2 fragment, ... Authors: Park, S.Y, Hwang, H.J, Kim, J.S. Deposit date: 2018-04-13 Release date: 2018-10-10 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.698 Å) Cite: 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 Descriptor: Acetylpolyamine amidohydrolase, N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide, POTASSIUM ION, ... Authors: Lombardi, P.M, Christianson, D.W. Deposit date: 2011-01-07 Release date: 2011-03-02 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: 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 Descriptor: 1,2-ETHANEDIOL, 4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide, DI(HYDROXYETHYL)ETHER, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2021-10-05 Release date: 2022-10-05 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.15 Å) Cite: 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 Descriptor: 5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide, PHOSPHATE ION, POTASSIUM ION, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2021-10-05 Release date: 2022-10-05 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.15 Å) Cite: 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 Descriptor: DI(HYDROXYETHYL)ETHER, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, PHOSPHATE ION, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2021-10-05 Release date: 2022-10-05 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.1 Å) Cite: 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 Descriptor: N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide, PHOSPHATE ION, POTASSIUM ION, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2021-10-05 Release date: 2022-10-05 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.2 Å) Cite: 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 Descriptor: (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2022-03-03 Release date: 2022-04-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.5 Å) Cite: 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 Descriptor: N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide, PHOSPHATE ION, POTASSIUM ION, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2022-02-27 Release date: 2022-04-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.1 Å) Cite: 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 Descriptor: (2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2022-03-03 Release date: 2022-04-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.6 Å) Cite: 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 Descriptor: 1,2-ETHANEDIOL, N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide, PHOSPHATE ION, ... Authors: Herbst-Gervasoni, C.J, Christianson, D.W. Deposit date: 2022-03-03 Release date: 2022-04-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.25 Å) Cite: 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 Descriptor: (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbohydroxamic acid, HISTONE DEACETYLASE 8, POTASSIUM ION, ... Authors: Marek, M, Romier, C. Deposit date: 2013-07-24 Release date: 2013-08-14 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.21 Å) Cite: 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 Descriptor: GLYCEROL, Histone deacetylase, POTASSIUM ION, ... Authors: Shaik, T.B, Romier, C. Deposit date: 2021-07-08 Release date: 2021-09-15 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.546 Å) Cite: 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 Descriptor: 3-chlorobenzothiophene-2-carbohydroxamic acid, DIMETHYLFORMAMIDE, GLYCEROL, ... Authors: Marek, M, Romier, C. Deposit date: 2013-07-24 Release date: 2013-08-14 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2 Å) Cite: 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 Descriptor: HISTONE DEACETYLASE 8, L(+)-TARTARIC ACID, POTASSIUM ION, ... Authors: Marek, M, Romier, C. Deposit date: 2013-07-24 Release date: 2013-08-14 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.785 Å) Cite: 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 Descriptor: 6-(2-Mercaptoacetylamino)-N-phenylhexanamide, DIMETHYLFORMAMIDE, GLYCEROL, ... Authors: Marek, M, Romier, C. Deposit date: 2014-02-14 Release date: 2014-04-02 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: 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 Descriptor: 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide, GLYCEROL, Histone deacetylase 6, ... Authors: Barinka, C, Motlova, L, Ustinova, K. Deposit date: 2020-07-27 Release date: 2021-08-04 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.13 Å) Cite: 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 Descriptor: 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, ... Authors: Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. Deposit date: 2021-07-06 Release date: 2022-07-20 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.25 Å) Cite: 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 Descriptor: 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, ... Authors: Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. Deposit date: 2021-07-06 Release date: 2022-07-20 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.3 Å) Cite: 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 Descriptor: 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, ... Authors: Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. Deposit date: 2021-07-06 Release date: 2022-07-20 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors. J.Biol.Chem., 298, 2022

<1234567891011121314>