6HTZ
 
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 8 | | 分子名称: | 4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-10-05 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.841 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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6HRQ
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with NCC-149 | | 分子名称: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-09-28 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.845 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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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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6HSG
 | | Crystal structure of Schistosoma mansoni HDAC8 H292M mutant complexed with NCC-149 | | 分子名称: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-10-01 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.846 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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6MR5
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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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6HSF
 | | Crystal structure of Schistosoma mansoni HDAC8 mutant H292M complexed with PCI-34051 | | 分子名称: | 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, 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 (1.899 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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7POZ
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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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5THS
 | | Crystal Structure of G302A 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 (1.9 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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1T64
 | | Crystal Structure of human HDAC8 complexed with Trichostatin A | | 分子名称: | CALCIUM ION, 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 (1.9 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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6GXU
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 3 | | 分子名称: | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{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 (1.917 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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4QA1
 | | Crystal structure of A188T HDAC8 in complex with M344 | | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, 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 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.92 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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6HTG
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 4 | | 分子名称: | 3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-10-04 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.939 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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5DC5
 | | Crystal structure of D176N HDAC8 in complex with M344 | | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ... | | 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 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
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6VNR
 | | Crystal Structure of Danio rerio Histone Deacetylase 6 Catalytic Domain 2 (CD2) Complexed with Bishydroxamic Acid Inhibitor | | 分子名称: | 1,2-ETHANEDIOL, Hdac6 protein, N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide, ... | | 著者 | Osko, J.D, Porter, N.J, Christianson, D.W. | | 登録日 | 2020-01-29 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.94301319 Å) | | 主引用文献 | Design and Synthesis of Dihydroxamic Acids as HDAC6/8/10 Inhibitors.
Chemmedchem, 15, 2020
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6HTH
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 5 | | 分子名称: | 4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-10-04 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 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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5THU
 | | Crystal Structure of G304A HDAC8 in complex with M344 | | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ... | | 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 (1.95 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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5FCW
 | | HDAC8 Complexed with a Hydroxamic Acid | | 分子名称: | 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | 著者 | Cole, K.E, Perry, K. | | 登録日 | 2015-12-15 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.979 Å) | | 主引用文献 | Structure of 'linkerless' hydroxamic acid inhibitor-HDAC8 complex confirms the formation of an isoform-specific subpocket.
J.Struct.Biol., 195, 2016
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4QA4
 | | Crystal structure of H334R HDAC8 in complex with M344 | | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, 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 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.98 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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6HU2
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 11 | | 分子名称: | 4-methyl-~{N}-oxidanyl-3-[(phenylmethyl)amino]benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-10-05 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.986 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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6HU1
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 10 | | 分子名称: | 4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-10-05 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.996 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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3SFF
 | | Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor | | 分子名称: | (2R)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one, Histone deacetylase 8, POTASSIUM ION, ... | | 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 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
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4BZ6
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4BZ9
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