4BZ6
 
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4BZ9
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3MZ6
 | | Crystal structure of D101L Fe2+ HDAC8 complexed with M344 | | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, FE (II) ION, Histone deacetylase 8, ... | | 著者 | Dowling, D.P, Gattis, S.G, Fierke, C.A, Christianson, D.W. | | 登録日 | 2010-05-11 | | 公開日 | 2010-06-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structures of metal-substituted human histone deacetylase 8 provide mechanistic inferences on biological function.
Biochemistry, 49, 2010
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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
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6CSQ
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6V79
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with NF2376 | | 分子名称: | 1,2-ETHANEDIOL, 4-{[(2S)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]methyl}-N-hydroxybenzamide, Hdac6 protein, ... | | 著者 | Osko, J.D, Christianson, D.W. | | 登録日 | 2019-12-08 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.03951526 Å) | | 主引用文献 | Harnessing the Role of HDAC6 in Idiopathic Pulmonary Fibrosis: Design, Synthesis, Structural Analysis, and Biological Evaluation of Potent Inhibitors.
J.Med.Chem., 64, 2021
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7KUT
 | | Crystal Structure of Danio rerio Histone Deacetylase 10 H137A Mutant in Complex with N-Acetylputrescine (Tetrahedral Intermediate) | | 分子名称: | 1,2-ETHANEDIOL, 1-[(4-aminobutyl)amino]ethane-1,1-diol, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Herbst-Gervasoni, C.J, Christianson, D.W. | | 登録日 | 2020-11-25 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10.
Biochemistry, 60, 2021
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6VNQ
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4QA6
 | | Crystal structure of I243N/Y306F HDAC8 in complex with a tetrapeptide substrate | | 分子名称: | 7-AMINO-4-METHYL-CHROMEN-2-ONE, GLYCEROL, Histone deacetylase 8, ... | | 著者 | Decroos, C, Bowman, C.B, Moser, J.-A.S, Christianson, K.E, Deardorff, M.A, Christianson, D.W. | | 登録日 | 2014-05-02 | | 公開日 | 2014-08-06 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.053 Å) | | 主引用文献 | Compromised Structure and Function of HDAC8 Mutants Identified in Cornelia de Lange Syndrome Spectrum Disorders.
Acs Chem.Biol., 9, 2014
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6GXW
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 4 | | 分子名称: | (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-06-27 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.071 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
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6HSK
 | | Crystal structure of a human HDAC8 L6 loop mutant complexed with Quisinostat | | 分子名称: | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, Histone deacetylase 8, POTASSIUM ION, ... | | 著者 | Marek, M, Shaik, T.B, Ramos-Morales, E, Romier, C. | | 登録日 | 2018-10-01 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.096 Å) | | 主引用文献 | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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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
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7KUQ
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7KUR
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6GXA
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 2 | | 分子名称: | (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-06-27 | | 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
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3RQD
 | | Ideal Thiolate-Zinc Coordination Geometry in Depsipeptide Binding to Histone Deacetylase 8 | | 分子名称: | Histone deacetylase 8, Largazole, POTASSIUM ION, ... | | 著者 | Cole, K.E, Dowling, D.P, Christianson, D.W. | | 登録日 | 2011-04-28 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.143 Å) | | 主引用文献 | Structural basis of the antiproliferative activity of largazole, a depsipeptide inhibitor of the histone deacetylases.
J.Am.Chem.Soc., 133, 2011
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6FYZ
 | | Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor | | 分子名称: | (2~{S})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{N}-oxidanyl-ethanamide, Histone deacetylase 4, SODIUM ION, ... | | 著者 | Luckhurst, C.A, Maillard, M.C, Dominguez, C. | | 登録日 | 2018-03-13 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor.
Bioorg. Med. Chem. Lett., 29, 2019
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7KUV
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4RN1
 | | Crystal structure of S39D HDAC8 in complex with a largazole analogue. | | 分子名称: | (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione, GLYCEROL, Histone deacetylase 8, ... | | 著者 | Decroos, C, Christianson, D.W. | | 登録日 | 2014-10-22 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Variable Active Site Loop Conformations Accommodate the Binding of Macrocyclic Largazole Analogues to HDAC8.
Biochemistry, 54, 2015
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5FUE
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7P2S
 | | Crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, chlorine derivative | | 分子名称: | 5-[[(2R)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, Histone deacetylase 8, POTASSIUM ION, ... | | 著者 | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | | 登録日 | 2021-07-06 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.2 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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1VKG
 | | Crystal Structure of Human HDAC8 complexed with CRA-19156 | | 分子名称: | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE, Histone deacetylase 8, SODIUM ION, ... | | 著者 | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | | 登録日 | 2004-05-13 | | 公開日 | 2004-07-27 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
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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
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4QA0
 | | Crystal structure of C153F HDAC8 in complex with SAHA | | 分子名称: | GLYCEROL, Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ... | | 著者 | Decroos, C, Bowman, C.B, Moser, J.-A.S, Christianson, K.E, Deardorff, M.A, Christianson, D.W. | | 登録日 | 2014-05-02 | | 公開日 | 2014-08-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.242 Å) | | 主引用文献 | Compromised Structure and Function of HDAC8 Mutants Identified in Cornelia de Lange Syndrome Spectrum Disorders.
Acs Chem.Biol., 9, 2014
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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
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