PDB: 341 件ウェブページステータス検索Chemie searchBIRD

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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
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
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
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
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
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
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
7JOM	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-317 分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Hdac6 protein, ... 著者 Watson, P.R, Christianson, D.W. 登録日 2020-08-06 公開日 2021-06-16 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Unique Molecular Interaction with the Histone Deacetylase 6 Catalytic Tunnel: Crystallographic and Biological Characterization of a Model Chemotype. J.Med.Chem., 64, 2021
8A0B	Inhibitor binding to HDAC2 分子名称: 1,2-ETHANEDIOL, 1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... 著者 Cleasby, A, Tisi, D. 登録日 2022-05-27 公開日 2022-09-21 最終更新日 2022-11-02 実験手法 X-RAY DIFFRACTION (1.746 Å) 主引用文献 Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
7ZZS	HDAC2 complexed with an inhibitory ligand 分子名称: (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one, 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, ... 著者 Cleasby, A, Tisi, D. 登録日 2022-05-26 公開日 2022-09-21 最終更新日 2022-11-02 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
7ZZP	Structure of HDAC2 complexed with an inhibitory ligand 分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... 著者 Cleasby, A, Tisi, D. 登録日 2022-05-25 公開日 2022-09-21 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
7ZZR	HDAC2 in complex with inhibitory ligand 分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... 著者 Cleasby, A, Tisi, D. 登録日 2022-05-26 公開日 2022-09-21 最終更新日 2022-11-02 実験手法 X-RAY DIFFRACTION (2.168 Å) 主引用文献 Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
7ZZO	HDAC2 in complex with an inhibitor 分子名称: 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... 著者 Cleasby, A, Tisi, D. 登録日 2022-05-25 公開日 2022-09-21 最終更新日 2022-11-02 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
7ZZT	Ligand binding to HDAC2 分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... 著者 Cleasby, A, Tisi, D. 登録日 2022-05-26 公開日 2022-09-21 最終更新日 2022-11-02 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
7ZZW	Ligand binding to HDAC2 分子名称: 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, ... 著者 Cleasby, A, Tisi, D. 登録日 2022-05-26 公開日 2022-09-21 最終更新日 2022-11-02 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
7ZZU	Inhibitory Ligand binding to HDAC2 分子名称: 1,2-ETHANEDIOL, 2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... 著者 Cleasby, A, Tisi, D. 登録日 2022-05-26 公開日 2022-09-21 最終更新日 2022-11-02 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
8A8Z	Crystal structure of Danio rerio HDAC6 CD2 in complex with in situ enzymatically hydrolyzed DFMO-based ITF5924 分子名称: 4-[[4-[4-(imidazolidin-2-ylideneamino)phenyl]-1,2,3-triazol-1-yl]methyl]benzohydrazide, Histone deacetylase 6, POTASSIUM ION, ... 著者 Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A. 登録日 2022-06-27 公開日 2023-01-25 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Difluoromethyl-1,3,4-oxadiazoles are slow-binding substrate analog inhibitors of histone deacetylase 6 with unprecedented isotype selectivity. J.Biol.Chem., 299, 2022
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
8BJK	X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor CPD11352 分子名称: Histone deacetylase 6, POTASSIUM ION, ZINC ION, ... 著者 Barinka, C, Motlova, L, Pavlicek, J. 登録日 2022-11-04 公開日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Comprehensive Mechanistic View of the Hydrolysis of Oxadiazole-Based Inhibitors by Histone Deacetylase 6 (HDAC6). Acs Chem.Biol., 18, 2023
6PHT	Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 5-[(3-aminopropyl)amino]pentylboronic acid 分子名称: Acetylpolyamine amidohydrolase, MAGNESIUM ION, POTASSIUM ION, ... 著者 Osko, J.D, Christianson, D.W. 登録日 2019-06-25 公開日 2019-09-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani. Biochemistry, 58, 2019
6PID	Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 8-amino-N-hydroxyoctanamide 分子名称: 8-amino-N-hydroxyoctanamide, Acetylpolyamine amidohydrolase, MAGNESIUM ION, ... 著者 Osko, J.D, Christianson, D.W. 登録日 2019-06-26 公開日 2019-09-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.546 Å) 主引用文献 Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani. Biochemistry, 58, 2019
6PI8	Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with acetate 分子名称: 1,2-ETHANEDIOL, ACETATE ION, Acetylpolyamine amidohydrolase, ... 著者 Osko, J.D, Christianson, D.W. 登録日 2019-06-26 公開日 2019-09-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.635 Å) 主引用文献 Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani. Biochemistry, 58, 2019

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