6HSH
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![BU of 6hsh by Molmil](/molmil-images/mine/6hsh) | Crystal structure of Schistosoma mansoni HDAC8 complexed with Quisinostat | 分子名称: | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-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 (1.545 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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7P3S
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![BU of 7p3s by Molmil](/molmil-images/mine/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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6FU1
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![BU of 6fu1 by Molmil](/molmil-images/mine/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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6TLD
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![BU of 6tld by Molmil](/molmil-images/mine/6tld) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor 2 | 分子名称: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | 著者 | Shaik, T.B, Romier, C. | 登録日 | 2019-12-02 | 公開日 | 2019-12-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Structure-Based Design, Synthesis, and Biological Evaluation of Triazole-Based smHDAC8 Inhibitors. Chemmedchem, 15, 2020
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4BZ7
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![BU of 4bz7 by Molmil](/molmil-images/mine/4bz7) | Crystal structure of Schistosoma mansoni HDAC8 complexed with M344 | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, GLYCEROL, HISTONE DEACETYLASE 8, ... | 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 (1.65 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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6HU3
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![BU of 6hu3 by Molmil](/molmil-images/mine/6hu3) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor | 分子名称: | 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide, 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 (1.655 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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6HTI
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![BU of 6hti by Molmil](/molmil-images/mine/6hti) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 6 | 分子名称: | GLYCEROL, Histone deacetylase, POTASSIUM ION, ... | 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 (1.693 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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6HU0
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![BU of 6hu0 by Molmil](/molmil-images/mine/6hu0) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 9 | 分子名称: | 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{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 (1.746 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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6HTT
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![BU of 6htt by Molmil](/molmil-images/mine/6htt) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 7 | 分子名称: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | 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 (1.748 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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4BZ5
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![BU of 4bz5 by Molmil](/molmil-images/mine/4bz5) | Crystal structure of Schistosoma mansoni HDAC8 | 分子名称: | HISTONE DEACETYLASE 8, L(+)-TARTARIC ACID, 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 (1.785 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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7P2U
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![BU of 7p2u by Molmil](/molmil-images/mine/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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6HTZ
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![BU of 6htz by Molmil](/molmil-images/mine/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
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![BU of 6hrq by Molmil](/molmil-images/mine/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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6HSG
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![BU of 6hsg by Molmil](/molmil-images/mine/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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6HSF
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![BU of 6hsf by Molmil](/molmil-images/mine/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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![BU of 7poz by Molmil](/molmil-images/mine/7poz) | |
6GXU
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![BU of 6gxu by Molmil](/molmil-images/mine/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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6HTG
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![BU of 6htg by Molmil](/molmil-images/mine/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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6HTH
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![BU of 6hth by Molmil](/molmil-images/mine/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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6HU2
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![BU of 6hu2 by Molmil](/molmil-images/mine/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
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![BU of 6hu1 by Molmil](/molmil-images/mine/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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4BZ6
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![BU of 4bz6 by Molmil](/molmil-images/mine/4bz6) | |
4BZ9
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![BU of 4bz9 by Molmil](/molmil-images/mine/4bz9) | |
6GXW
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![BU of 6gxw by Molmil](/molmil-images/mine/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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6GX3
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![BU of 6gx3 by Molmil](/molmil-images/mine/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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