PDB: 107 件ウェブページステータス検索Chemie searchBIRD

---

2V5X	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	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	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	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
4QA7	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
1T67	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
6HSZ	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	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	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	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	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	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
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
1W22	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
6HQY	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	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	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	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	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
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
3SFH	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	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
6ODC	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
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
7ZW7	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

<12345>