PDB: 340 件ウェブページステータス検索Chemie searchBIRD

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7KUS	Crystal Structure of Danio rerio Histone Deacetylase 10 H137A Mutant in Complex with N8-Acetylspermidine (Tetrahedral Intermediate) 分子名称: 1,2-ETHANEDIOL, 1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol, DI(HYDROXYETHYL)ETHER, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2020-11-25 公開日 2021-02-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10. Biochemistry, 60, 2021
7KUQ	Crystal Structure of Danio rerio Histone Deacetylase 10 Y307F Mutant in Complex with N8-Acetylspermidine 分子名称: N-{4-[(3-aminopropyl)amino]butyl}acetamide, PHOSPHATE ION, POTASSIUM ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2020-11-25 公開日 2021-02-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10. Biochemistry, 60, 2021
7KUR	Crystal Structure of Danio rerio Histone Deacetylase 10 Y307F Mutant in Complex with N-Acetylputrescine 分子名称: DI(HYDROXYETHYL)ETHER, N-(4-aminobutyl)acetamide, PHOSPHATE ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2020-11-25 公開日 2021-02-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10. Biochemistry, 60, 2021
7KUT	Crystal Structure of Danio rerio Histone Deacetylase 10 H137A Mutant in Complex with N-Acetylputrescine (Tetrahedral Intermediate) 分子名称: 1,2-ETHANEDIOL, 1-[(4-aminobutyl)amino]ethane-1,1-diol, DI(HYDROXYETHYL)ETHER, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2020-11-25 公開日 2021-02-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10. Biochemistry, 60, 2021
7KUV	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Acetate 分子名称: 1,2-ETHANEDIOL, ACETATE ION, PHOSPHATE ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2020-11-25 公開日 2021-02-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10. Biochemistry, 60, 2021
7KBH	Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 16) 分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... 著者 Klein, D.J, Liu, J. 登録日 2020-10-02 公開日 2020-12-30 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.68 Å) 主引用文献 Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group. Acs Med.Chem.Lett., 11, 2020
7KBG	Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 20) 分子名称: 2,5-dichloro-1H-benzimidazole, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... 著者 Klein, D.J, Liu, J. 登録日 2020-10-02 公開日 2020-12-30 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group. Acs Med.Chem.Lett., 11, 2020
7JVU	Crystal structure of human histone deacetylase 8 (HDAC8) I45T mutation complexed with SAHA 分子名称: 1,2-ETHANEDIOL, Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ... 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 (1.5004766 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
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
7JVV	Crystal structure of human histone deacetylase 8 (HDAC8) E66D/Y306F double mutation complexed with a tetrapeptide substrate 分子名称: 1,2-ETHANEDIOL, ACE-ARG-HIS-ALY-ALY-MCM, GLYCEROL, ... 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 2023-11-15 実験手法 X-RAY DIFFRACTION (1.84 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
6V7A	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with NF2657 分子名称: Hdac6 protein, N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide, POTASSIUM ION, ... 著者 Osko, J.D, Christianson, D.W. 登録日 2019-12-08 公開日 2020-12-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.0874176 Å) 主引用文献 Spiroindoline-Capped Selective HDAC6 Inhibitors: Design, Synthesis, Structural Analysis, and Biological Evaluation. Acs Med.Chem.Lett., 11, 2020
6V79	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with NF2376 分子名称: 1,2-ETHANEDIOL, 4-{[(2S)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]methyl}-N-hydroxybenzamide, Hdac6 protein, ... 著者 Osko, J.D, Christianson, D.W. 登録日 2019-12-08 公開日 2020-12-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.03951526 Å) 主引用文献 Harnessing the Role of HDAC6 in Idiopathic Pulmonary Fibrosis: Design, Synthesis, Structural Analysis, and Biological Evaluation of Potent Inhibitors. J.Med.Chem., 64, 2021
7AOA	Structure of the extended MTA1/HDAC1/MBD2/RBBP4 NURD deacetylase complex 分子名称: Histone deacetylase 1, Histone-binding protein RBBP4, INOSITOL HEXAKISPHOSPHATE, ... 著者 Millard, C.J, Fairall, L, Ragan, T.J, Savva, C.G, Schwabe, J.W.R. 登録日 2020-10-14 公開日 2020-11-11 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (19.4 Å) 主引用文献 The topology of chromatin-binding domains in the NuRD deacetylase complex. Nucleic Acids Res., 48, 2020
7AO9	Structure of the core MTA1/HDAC1/MBD2 NURD deacetylase complex 分子名称: Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, Metastasis-associated protein MTA1, ... 著者 Millard, C.J, Fairall, L, Ragan, T.J, Savva, C.G, Schwabe, J.W.R. 登録日 2020-10-14 公開日 2020-11-11 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (6.1 Å) 主引用文献 The topology of chromatin-binding domains in the NuRD deacetylase complex. Nucleic Acids Res., 48, 2020
7AO8	Structure of the MTA1/HDAC1/MBD2 NURD deacetylase complex 分子名称: Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, Metastasis-associated protein MTA1, ... 著者 Millard, C.J, Fairall, L, Ragan, T.J, Savva, C.G, Schwabe, J.W.R. 登録日 2020-10-14 公開日 2020-11-11 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (4.5 Å) 主引用文献 The topology of chromatin-binding domains in the NuRD deacetylase complex. Nucleic Acids Res., 48, 2020
6TCY	X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with a inhibitor SS555 分子名称: 1,2-ETHANEDIOL, 2-METHOXYETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... 著者 Stransky, J, Barinka, C. 登録日 2019-11-06 公開日 2020-11-04 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Rational Design of Suprastat: A Novel Selective Histone Deacetylase 6 Inhibitor with the Ability to Potentiate Immunotherapy in Melanoma Models. J.Med.Chem., 63, 2020
6WYQ	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with 4-iodo-SAHA 分子名称: Histone deacetylase 6, N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide, POTASSIUM ION, ... 著者 Osko, J.D, Christianson, D.W. 登録日 2020-05-13 公開日 2020-09-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.90001464 Å) 主引用文献 Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6. Acta Crystallogr.,Sect.F, 76, 2020
6WYP	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with SAHA-BPyne 分子名称: Histone deacetylase 6, N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide, POTASSIUM ION, ... 著者 Osko, J.D, Christianson, D.W. 登録日 2020-05-13 公開日 2020-09-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.40006351 Å) 主引用文献 Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6. Acta Crystallogr.,Sect.F, 76, 2020
6WYO	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) H82F F202Y double mutant complexed with Trichostatin A 分子名称: Histone deacetylase 6, POTASSIUM ION, TRICHOSTATIN A, ... 著者 Osko, J.D, Christianson, D.W. 登録日 2020-05-13 公開日 2020-09-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.30000281 Å) 主引用文献 Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6. Acta Crystallogr.,Sect.F, 76, 2020
6XEB	STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E) 分子名称: 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... 著者 Klein, D.J, Clausen, D. 登録日 2020-06-12 公開日 2020-08-12 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir. Bioorg.Med.Chem.Lett., 30, 2020
6XEC	STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND O) 分子名称: (1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... 著者 Klein, D.J, Clausen, D. 登録日 2020-06-12 公開日 2020-08-12 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.701 Å) 主引用文献 Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir. Bioorg.Med.Chem.Lett., 30, 2020
6PYE	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NR160 分子名称: 1,2-ETHANEDIOL, Hdac6 protein, N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide, ... 著者 Osko, J.D, Christianson, D.W. 登録日 2019-07-29 公開日 2020-07-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.480003 Å) 主引用文献 Multicomponent Synthesis, Binding Mode, and Structure-Activity Relationship of Selective Histone Deacetylase 6 (HDAC6) Inhibitors with Bifurcated Capping Groups. J.Med.Chem., 63, 2020
6XDM	STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ARYL KETONE INHIBITOR 分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... 著者 Klein, D.J, Liu, J. 登録日 2020-06-11 公開日 2020-07-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Selective Class I HDAC Inhibitors Based on Aryl Ketone Zinc Binding Induce HIV-1 Protein for Clearance. Acs Med.Chem.Lett., 11, 2020
6WBQ	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Tubastatin A 分子名称: 1,2-ETHANEDIOL, 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide, PHOSPHATE ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2020-03-27 公開日 2020-07-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase. Acs Chem.Biol., 15, 2020
6WDX	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Hydroxyethylindole Phenylhydroxamate Inhibitor 分子名称: N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide, PHOSPHATE ION, POTASSIUM ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2020-04-01 公開日 2020-07-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase. Acs Chem.Biol., 15, 2020

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