5THV
 
 | | Crystal Structure of G305A HDAC8 in complex with M344 | | 分子名称: | 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ... | | 著者 | Porter, N.J, Christianson, D.W. | | 登録日 | 2016-09-30 | | 公開日 | 2016-12-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.868 Å) | | 主引用文献 | Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
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5VI6
 | | Crystal structure of histone deacetylase 8 in complex with trapoxin A | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Histone deacetylase 8, ... | | 著者 | Porter, N.J, Christianson, D.W. | | 登録日 | 2017-04-14 | | 公開日 | 2017-09-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.237 Å) | | 主引用文献 | Binding of the Microbial Cyclic Tetrapeptide Trapoxin A to the Class I Histone Deacetylase HDAC8.
ACS Chem. Biol., 12, 2017
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5W5K
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with KV70 | | 分子名称: | 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium, Histone deacetylase 6, POTASSIUM ION, ... | | 著者 | Porter, N.J, Christianson, D.W. | | 登録日 | 2017-06-15 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Synthesis and Biological Investigation of Phenothiazine-Based Benzhydroxamic Acids as Selective Histone Deacetylase 6 Inhibitors.
J.Med.Chem., 62, 2019
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5WGI
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5WGK
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5WGL
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5WGM
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ACY-1083 | | 分子名称: | 1,2-ETHANEDIOL, 2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Porter, N.J, Christianson, D.W. | | 登録日 | 2017-07-14 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5ZMP
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5ZOO
 | | Crystal structure of histone deacetylase 4 (HDAC4) in complex with a SMRT corepressor SP1 fragment | | 分子名称: | Histone deacetylase 4, POTASSIUM ION, SMRT corepressor SP1 fragment, ... | | 著者 | Park, S.Y, Hwang, H.J, Kim, J.S. | | 登録日 | 2018-04-13 | | 公開日 | 2018-11-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural basis of the specific interaction of SMRT corepressor with histone deacetylase 4.
Nucleic Acids Res., 46, 2018
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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
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6CGP
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032 | | 分子名称: | 1,2-ETHANEDIOL, Hdac6 protein, N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide, ... | | 著者 | Osko, J.D, Christianson, D.W. | | 登録日 | 2018-02-20 | | 公開日 | 2018-06-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Multicomponent Synthesis and Binding Mode of Imidazo[1,2- a]pyridine-Capped Selective HDAC6 Inhibitors.
Org. Lett., 20, 2018
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6CSP
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6CSQ
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6CSR
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6CSS
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6CW8
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with RTS-V5 | | 分子名称: | 1,2-ETHANEDIOL, Hdac6 protein, N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide, ... | | 著者 | Osko, J.D, Christianson, D.W. | | 登録日 | 2018-03-30 | | 公開日 | 2018-11-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor.
J. Med. Chem., 61, 2018
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6DVL
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6DVM
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-122 | | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide, ... | | 著者 | Porter, N.J, Christianson, D.W. | | 登録日 | 2018-06-24 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
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6DVN
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6DVO
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with Bavarostat | | 分子名称: | 1,2-ETHANEDIOL, 3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide, Hdac6 protein, ... | | 著者 | Porter, N.J, Christianson, D.W. | | 登録日 | 2018-06-24 | | 公開日 | 2018-08-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
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6FU1
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a n-alkyl hydroxamate | | 分子名称: | GLYCEROL, Histone deacetylase, POTASSIUM ION, ... | | 著者 | Marek, M, Shaik, T.B, Romier, C. | | 登録日 | 2018-02-26 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.548 Å) | | 主引用文献 | A Novel Class of Schistosoma mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified by Structure-Based Virtual Screening and In Vitro Testing.
Molecules, 23, 2018
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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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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 | 2024-05-08 | | 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
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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
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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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