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

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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
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
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
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
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
6Z2J	The structure of the dimeric HDAC1/MIDEAS/DNTTIP1 MiDAC deacetylase complex 分子名称: Deoxynucleotidyltransferase terminal-interacting protein 1, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ... 著者 Fairall, L, Saleh, A, Ragan, T.J, Millard, C.J, Savva, C.G, Schwabe, J.W.R. 登録日 2020-05-16 公開日 2020-07-08 最終更新日 2020-10-07 実験手法 ELECTRON MICROSCOPY (4 Å) 主引用文献 The MiDAC histone deacetylase complex is essential for embryonic development and has a unique multivalent structure. Nat Commun, 11, 2020
6Z2K	The structure of the tetrameric HDAC1/MIDEAS/DNTTIP1 MiDAC deacetylase complex 分子名称: Deoxynucleotidyltransferase terminal-interacting protein 1, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ... 著者 Fairall, L, Saleh, A, Ragan, T.J, Millard, C.J, Savva, C.G, Schwabe, J.W.R. 登録日 2020-05-16 公開日 2020-07-08 最終更新日 2020-10-07 実験手法 ELECTRON MICROSCOPY (4.5 Å) 主引用文献 The MiDAC histone deacetylase complex is essential for embryonic development and has a unique multivalent structure. Nat Commun, 11, 2020
6Z6F	HDAC-PC 分子名称: HDA1 complex subunit 2, HDA1 complex subunit 3,HDA1 complex subunit 3, Histone deacetylase HDA1, ... 著者 Lee, J.-H, Bollschweiler, D, Schaefer, T, Huber, R. 登録日 2020-05-28 公開日 2021-02-17 実験手法 ELECTRON MICROSCOPY (3.11 Å) 主引用文献 Structural basis for the regulation of nucleosome recognition and HDAC activity by histone deacetylase assemblies. Sci Adv, 7, 2021
6Z6H	HDAC-DC 分子名称: HDA1 complex subunit 2, HDA1 complex subunit 3,HDA1 complex subunit 3, Histone deacetylase HDA1, ... 著者 Lee, J.-H, Bollschweiler, D, Schaefer, T, Huber, R. 登録日 2020-05-28 公開日 2021-02-17 実験手法 ELECTRON MICROSCOPY (8.55 Å) 主引用文献 Structural basis for the regulation of nucleosome recognition and HDAC activity by histone deacetylase assemblies. Sci Adv, 7, 2021
6Z6O	HDAC-TC 分子名称: HDA1 complex subunit 2, HDA1 complex subunit 3,HDA1 complex subunit 3, Histone deacetylase HDA1, ... 著者 Lee, J.-H, Bollschweiler, D, Schaefer, T, Huber, R. 登録日 2020-05-28 公開日 2021-02-17 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 Structural basis for the regulation of nucleosome recognition and HDAC activity by histone deacetylase assemblies. Sci Adv, 7, 2021
6Z6P	HDAC-PC-Nuc 分子名称: DNA (145-MER), HDA1 complex subunit 2, HDA1 complex subunit 3,HDA1 complex subunit 3, ... 著者 Lee, J.-H, Bollschweiler, D, Schaefer, T, Huber, R. 登録日 2020-05-28 公開日 2021-02-17 実験手法 ELECTRON MICROSCOPY (4.43 Å) 主引用文献 Structural basis for the regulation of nucleosome recognition and HDAC activity by histone deacetylase assemblies. Sci Adv, 7, 2021
6ZW1	X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101 分子名称: 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide, GLYCEROL, Histone deacetylase 6, ... 著者 Barinka, C, Motlova, L, Ustinova, K. 登録日 2020-07-27 公開日 2021-08-04 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot-Marie-Tooth Type 2A Mouse Model. J.Med.Chem., 64, 2021
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
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
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
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
7JS8	STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ETHYL KETONE INHIBITOR CONTAINING A SPIRO-BICYCLIC GROUP (COMPOUND 22) 分子名称: (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... 著者 Klein, D.J, Yu, W. 登録日 2020-08-14 公開日 2021-08-11 実験手法 X-RAY DIFFRACTION (1.634 Å) 主引用文献 Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity. J.Med.Chem., 64, 2021
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
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
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
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
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
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

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