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

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5D1D	Crystal structure of P91L-Y306F HDAC8 in complex with a tetrapeptide substrate 分子名称: HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, POTASSIUM ION, ... 著者 Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. 登録日 2015-08-04 公開日 2015-10-21 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.011 Å) 主引用文献 Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders. Biochemistry, 54, 2015
5D1C	Crystal structure of D233G-Y306F HDAC8 in complex with a tetrapeptide substrate 分子名称: GLYCEROL, HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, ... 著者 Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. 登録日 2015-08-04 公開日 2015-10-21 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.422 Å) 主引用文献 Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders. Biochemistry, 54, 2015
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
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
2V5W	Crystal structure of HDAC8-substrate complex 分子名称: GLYCYL-GLYCYL-GLYCINE, HISTONE DEACETYLASE 8, PEPTIDIC SUBSTRATE, ... 著者 Di Marco, S, Vannini, A, Volpari, 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 Å) 主引用文献 Substrate Binding to Histone Deacetylases as Revealed by Crystal Structure of Hdac8-Substrate Complex Embo Rep., 8, 2007
1VKG	Crystal Structure of Human HDAC8 complexed with CRA-19156 分子名称: 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE, 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 2004-05-13 公開日 2004-07-27 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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
1T69	Crystal Structure of human HDAC8 complexed with SAHA 分子名称: Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ZINC 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 (2.91 Å) 主引用文献 Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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
5D1B	Crystal structure of G117E HDAC8 in complex with TSA 分子名称: Histone deacetylase 8, POTASSIUM ION, TRICHOSTATIN A, ... 著者 Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. 登録日 2015-08-04 公開日 2015-10-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders. Biochemistry, 54, 2015
4QA5	Crystal structure of A188T/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 (1.76 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
4QA6	Crystal structure of I243N/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 (2.053 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
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
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
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
4QA0	Crystal structure of C153F 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 (2.242 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
4QA3	Crystal structure of T311M HDAC8 in complex with Trichostatin A (TSA) 分子名称: GLYCEROL, Histone deacetylase 8, POTASSIUM ION, ... 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 (2.876 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
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
6HSK	Crystal structure of a human HDAC8 L6 loop mutant complexed with Quisinostat 分子名称: 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, Histone deacetylase 8, POTASSIUM ION, ... 著者 Marek, M, Shaik, T.B, Ramos-Morales, E, 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 (2.096 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
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
4RN1	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-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione, GLYCEROL, Histone deacetylase 8, ... 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 (2.18 Å) 主引用文献 Variable Active Site Loop Conformations Accommodate the Binding of Macrocyclic Largazole Analogues to HDAC8. Biochemistry, 54, 2015
4RN0	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]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione, GLYCEROL, Histone deacetylase 8, ... 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 (1.761 Å) 主引用文献 Variable Active Site Loop Conformations Accommodate the Binding of Macrocyclic Largazole Analogues to HDAC8. Biochemistry, 54, 2015
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
6ODA	Crystal structure of HDAC8 in complex with compound 2 分子名称: Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... 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 (2.88 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

 

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