PDB: 336 件ウェブページステータス検索Chemie searchBIRD

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7SGK	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with DKFZ-728 分子名称: N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide, PHOSPHATE ION, POTASSIUM ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2021-10-05 公開日 2022-10-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout. J.Am.Chem.Soc., 144, 2022
7U3M	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with N-methylpiperazine Benzhydroxamic Acid 分子名称: N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide, PHOSPHATE ION, POTASSIUM ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2022-02-27 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells. Eur.J.Med.Chem., 234, 2022
7U59	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Piperidine-4-hydroxamic acid Inhibitor 分子名称: 1,2-ETHANEDIOL, 1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide, PHOSPHATE ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2022-03-01 公開日 2023-01-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 First Fluorescent Acetylspermidine Deacetylation Assay for HDAC10 Identifies Selective Inhibitors with Cellular Target Engagement. Chembiochem, 23, 2022
7U69	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-acrylhydroxamic Acid Inhibitor 分子名称: (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2022-03-03 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells. Eur.J.Med.Chem., 234, 2022
7U6A	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 3-thienylmethyl Benzhydroxamic Acid Inhibitor 分子名称: 1,2-ETHANEDIOL, N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide, PHOSPHATE ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2022-03-03 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells. Eur.J.Med.Chem., 234, 2022
7U6B	Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Indolethyl Piperidine-4-acrylhydroxamic Acid Inhibitor 分子名称: (2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ... 著者 Herbst-Gervasoni, C.J, Christianson, D.W. 登録日 2022-03-03 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells. Eur.J.Med.Chem., 234, 2022
7U8Z	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with fluorinated peptoid inhibitor 分子名称: 1,2-ETHANEDIOL, 4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide, ACETATE ION, ... 著者 Watson, P.R, Cragin, A.D, Christianson, D.W. 登録日 2022-03-09 公開日 2022-11-23 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Development of Fluorinated Peptoid-Based Histone Deacetylase (HDAC) Inhibitors for Therapy-Resistant Acute Leukemia. J.Med.Chem., 65, 2022
7UK2	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NN-390 分子名称: Hdac6 protein, N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide, POTASSIUM ION, ... 著者 Erdogan, F, Seo, H.-S, Dhe-Paganon, S. 登録日 2022-03-31 公開日 2022-11-02 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 High Efficacy and Drug Synergy of HDAC6-Selective Inhibitor NN-429 in Natural Killer (NK)/T-Cell Lymphoma. Pharmaceuticals, 15, 2022
7WJL	Crystal structure of S. cerevisiae Hos3 分子名称: ACETATE ION, Histone deacetylase HOS3, ZINC ION 著者 Pang, N.N, Che, S.Y, Yang, N. 登録日 2022-01-07 公開日 2023-01-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural characterization of fungus-specific histone deacetylase Hos3 provides insights into developing selective inhibitors with antifungal activity. J.Biol.Chem., 298, 2022
7YI0	Cryo-EM structure of Rpd3S complex 分子名称: Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... 著者 Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. 登録日 2022-07-14 公開日 2023-06-14 最終更新日 2023-08-30 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
7YI2	Cryo-EM structure of Rpd3S in loose-state Rpd3S-NCP complex 分子名称: Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... 著者 Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. 登録日 2022-07-14 公開日 2023-06-14 最終更新日 2023-08-30 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
7YI3	Cryo-EM structure of Rpd3S in close-state Rpd3S-NCP complex 分子名称: Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ... 著者 Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. 登録日 2022-07-14 公開日 2023-06-14 最終更新日 2023-08-30 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
7YI4	Cryo-EM structure of Rpd3S complex bound to H3K36me3 nucleosome in close state 分子名称: Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ... 著者 Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. 登録日 2022-07-14 公開日 2023-06-14 最終更新日 2023-08-30 実験手法 ELECTRON MICROSCOPY (3.96 Å) 主引用文献 Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
7YI5	Cryo-EM structure of Rpd3S complex bound to H3K36me3 nucleosome in loose state 分子名称: Chromatin modification-related protein EAF3, Histone H2A, Histone H2B 1.1, ... 著者 Li, H.T, Yan, C.Y, Guan, H.P, Wang, P. 登録日 2022-07-14 公開日 2023-06-14 最終更新日 2023-08-30 実験手法 ELECTRON MICROSCOPY (3.96 Å) 主引用文献 Diverse modes of H3K36me3-guided nucleosomal deacetylation by Rpd3S. Nature, 620, 2023
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
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
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
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
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
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
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
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
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
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

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