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2V5X
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Crystal structure of HDAC8-inhibitor complex
分子名称: (2R)-N~8~-HYDROXY-2-{[(5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}-N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE, HISTONE DEACETYLASE 8, POTASSIUM ION, ...
著者Di Marco, S, Vannini, A, Volpari, C, Gallinari, P, Jones, P, Mattu, M, Carfi, A, Defrancesco, R, Steinkuhler, C.
登録日2007-07-10
公開日2007-09-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Substrate Binding to Histone Deacetylases as Revealed by Crystal Structure of Hdac8-Substrate Complex
Embo Rep., 8, 2007
7P2T
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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
5DC7
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Crystal structure of D176A-Y306F HDAC8 in complex with a tetrapeptide substrate
分子名称: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ...
著者Decroos, C, Lee, M.S, Christianson, D.W.
登録日2015-08-23
公開日2016-02-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
4CQF
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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
1T67
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Crystal Structure of Human HDAC8 complexed with MS-344
分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, 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2004-05-05
公開日2004-07-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
4QA7
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Crystal structure of H334R/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 (2.31 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
6HSZ
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Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 2
分子名称: 3-benzamido-4-methyl-~{N}-oxidanyl-benzamide, GLYCEROL, Histone deacetylase, ...
著者Marek, M, Shaik, T.B, Romier, C.
登録日2018-10-02
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.374 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
4QA2
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BU of 4qa2 by Molmil
Crystal structure of I243N 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 (2.377 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
4RN2
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BU of 4rn2 by Molmil
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-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione, Histone deacetylase 8, POTASSIUM ION, ...
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 (2.39 Å)
主引用文献Variable Active Site Loop Conformations Accommodate the Binding of Macrocyclic Largazole Analogues to HDAC8.
Biochemistry, 54, 2015
7JVW
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Crystal structure of human histone deacetylase 8 (HDAC8) G320R mutation complexed with M344
分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M.
登録日2020-08-24
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.40301776 Å)
主引用文献Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
5THT
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Crystal Structure of G303A 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 (2.407 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
6HT8
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BU of 6ht8 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 3
分子名称: 3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Marek, M, Shaik, T.B, Romier, C.
登録日2018-10-03
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.497 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
1W22
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BU of 1w22 by Molmil
Crystal structure of inhibited human HDAC8
分子名称: HISTONE DEACETYLASE 8, N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-2-THIENYL]SULFONYL}AMINO)BENZAMIDE, POTASSIUM ION, ...
著者Vannini, A, Volpari, C, Caroli Casavola, E, Di Marco, S.
登録日2004-06-25
公開日2004-09-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of a Eukaryotic Zn-Dependent Histone Deacetylase,Human Hdac8,Complexed with a Hydroxamic Acid Inhibitor
Proc.Natl.Acad.Sci.USA, 101, 2004
3EWF
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BU of 3ewf by Molmil
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
6HQY
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BU of 6hqy by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with PCI-34051
分子名称: 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, GLYCEROL, Histone deacetylase, ...
著者Marek, M, Shaik, T.B, Romier, C.
登録日2018-09-25
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.501 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
3F0R
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BU of 3f0r by Molmil
Crystal Structure Analysis of Human HDAC8 complexed with trichostatin A in a new monoclinic crystal form
分子名称: Histone deacetylase 8, POTASSIUM ION, TRICHOSTATIN A, ...
著者Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W.
登録日2008-10-25
公開日2008-12-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.54 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
3F06
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BU of 3f06 by Molmil
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
3EZP
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BU of 3ezp by Molmil
Crystal Structure Analysis of human HDAC8 D101N 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 (2.65 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
5FUG
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BU of 5fug by Molmil
Crystal structure of a human YL1-H2A.Z-H2B complex
分子名称: HISTONE H2A.Z, HISTONE H2B TYPE 1-J, VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 72 HOMOLOG
著者Latrick, C.M, Marek, M, Ouararhni, K, Papin, C, Stoll, I, Ignatyeva, M, Obri, A, Ennifar, E, Dimitrov, S, Romier, C, Hamiche, A.
登録日2016-01-27
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Basis and Specificity of H2A.Z-H2B Recognition and Deposition by the Histone Chaperone Yl1
Nat.Struct.Mol.Biol., 23, 2016
3SFH
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BU of 3sfh by Molmil
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
6ODB
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BU of 6odb by Molmil
Crystal structure of HDAC8 in complex with compound 3
分子名称: GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ...
著者Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
登録日2019-03-26
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
5W5K
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BU of 5w5k by Molmil
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
6ODC
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BU of 6odc by Molmil
Crystal structure of HDAC8 in complex with compound 30
分子名称: (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ...
著者Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
登録日2019-03-26
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
7ZW7
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BU of 7zw7 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 in complex with a formate molecule in the active site
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Saccoccia, F, Giannaccari, M, Ruberti, G.
登録日2022-05-19
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure of Schistosoma mansoni HDAC8 in complex with a formate molecule in the active site
To Be Published
3EZT
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BU of 3ezt by Molmil
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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