3MZ3
 
 | | Crystal structure of Co2+ HDAC8 complexed with M344 | | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, COBALT (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 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.2 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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3MZ4
 | | Crystal structure of D101L Mn2+ HDAC8 complexed with M344 | | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, GLYCEROL, 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 (1.845 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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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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3MZ7
 | | Crystal structure of D101L Co2+ HDAC8 complexed with M344 | | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, COBALT (II) ION, GLYCEROL, ... | | 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 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 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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6WHO
 | | Histone deacetylases complex with peptide macrocycles | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | | 著者 | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | 登録日 | 2020-04-08 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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6WHN
 | | Histone deacetylases complex with peptide macrocycles | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | | 著者 | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | 登録日 | 2020-04-08 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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6WHQ
 | | Histone deacetylases complex with peptide macrocycles | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | | 著者 | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | 登録日 | 2020-04-08 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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6WSJ
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6WHZ
 | | Histone deacetylases complex with peptide macrocycles | | 分子名称: | Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ... | | 著者 | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | 登録日 | 2020-04-08 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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6WI3
 | | Histone deacetylases complex with peptide macrocycles | | 分子名称: | (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ... | | 著者 | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | 登録日 | 2020-04-08 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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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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6XEB
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8D9A
 | | Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 8 | | 分子名称: | 2,3,5-trifluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ... | | 著者 | Watson, P.R, Christianson, D.W. | | 登録日 | 2022-06-09 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
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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
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8D99
 | | Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 7 | | 分子名称: | 2,3,6-trifluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ... | | 著者 | Watson, P.R, Christianson, D.W. | | 登録日 | 2022-06-09 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
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8D9C
 | | Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 10 | | 分子名称: | 2,3,4,5,6-pentafluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ... | | 著者 | Watson, P.R, Christianson, D.W. | | 登録日 | 2022-06-09 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
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8D98
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8D9B
 | | Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 9 | | 分子名称: | 2,3,5,6-tetrafluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ... | | 著者 | Watson, P.R, Christianson, D.W. | | 登録日 | 2022-06-09 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
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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
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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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3Q9C
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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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3EWF
 | | Crystal Structure Analysis of human HDAC8 H143A variant complexed with substrate. | | 分子名称: | 7-AMINO-4-METHYL-CHROMEN-2-ONE, Histone deacetylase 8, PEPTIDIC SUBSTRATE, ... | | 著者 | Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W. | | 登録日 | 2008-10-14 | | 公開日 | 2008-12-30 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors.
Biochemistry, 47, 2008
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3F06
 | | Crystal Structure Analysis of Human HDAC8 D101A Variant. | | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, BETA-MERCAPTOETHANOL, Histone deacetylase 8, ... | | 著者 | Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W. | | 登録日 | 2008-10-24 | | 公開日 | 2008-12-30 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors.
Biochemistry, 47, 2008
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3EZT
 | | Crystal Structure Analysis of Human HDAC8 D101E Variant | | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, BETA-MERCAPTOETHANOL, Histone deacetylase 8, ... | | 著者 | Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W. | | 登録日 | 2008-10-23 | | 公開日 | 2008-12-30 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors.
Biochemistry, 47, 2008
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