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6UFN
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Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 7-[(3-aminopropyl)amino]heptan-2-one
分子名称: 7-[(3-aminopropyl)amino]heptane-2,2-diol, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-09-24
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
6UHV
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Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide
分子名称: 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-09-28
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
6UII
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BU of 6uii by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 5-[(3-aminopropyl)amino]pentane-1-thiol
分子名称: 5-[(3-aminopropyl)amino]pentane-1-thiol, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-10-01
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
6UO3
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BU of 6uo3 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) complexed with AR-42
分子名称: 1,2-ETHANEDIOL, AR-42, HDAC6, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-10-14
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.09000123 Å)
主引用文献Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6.
Biochemistry, 58, 2019
5VI6
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BU of 5vi6 by Molmil
Crystal structure of histone deacetylase 8 in complex with trapoxin A
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Histone deacetylase 8, ...
著者Porter, N.J, Christianson, D.W.
登録日2017-04-14
公開日2017-09-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.237 Å)
主引用文献Binding of the Microbial Cyclic Tetrapeptide Trapoxin A to the Class I Histone Deacetylase HDAC8.
ACS Chem. Biol., 12, 2017
6UIM
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BU of 6uim by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 7-{[(3-aminopropyl)amino]-2-oxoheptyl} thioacetate
分子名称: 7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-10-01
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
6UO2
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BU of 6uo2 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) complexed with Trichostatin A
分子名称: HDAC6, POTASSIUM ION, TRICHOSTATIN A, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-10-14
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6500231 Å)
主引用文献Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6.
Biochemistry, 58, 2019
2V5W
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BU of 2v5w by Molmil
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
2VCG
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BU of 2vcg by Molmil
Crystal structure of a HDAC-like protein HDAH from Bordetella sp. with the bound inhibitor ST-17
分子名称: CHLORIDE ION, GLYCEROL, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ...
著者Dickmanns, A, Strasser, A, Ficner, R.
登録日2007-09-24
公開日2008-01-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Phenylalanine-Containing Hydroxamic Acids as Selective Inhibitors of Class Iib Histone Deacetylases (Hdacs).
Bioorg.Med.Chem., 16, 2008
4BZ7
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BU of 4bz7 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with M344
分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, GLYCEROL, HISTONE DEACETYLASE 8, ...
著者Marek, M, Romier, C.
登録日2013-07-24
公開日2013-08-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
5WGI
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BU of 5wgi by Molmil
Ultrahigh resolution crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with TSA
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Porter, N.J, Christianson, D.W.
登録日2017-07-14
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W5K
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BU of 5w5k by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with KV70
分子名称: 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium, Histone deacetylase 6, POTASSIUM ION, ...
著者Porter, N.J, Christianson, D.W.
登録日2017-06-15
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis and Biological Investigation of Phenothiazine-Based Benzhydroxamic Acids as Selective Histone Deacetylase 6 Inhibitors.
J.Med.Chem., 62, 2019
4BZ5
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BU of 4bz5 by Molmil
Crystal structure of Schistosoma mansoni HDAC8
分子名称: HISTONE DEACETYLASE 8, L(+)-TARTARIC ACID, POTASSIUM ION, ...
著者Marek, M, Romier, C.
登録日2013-07-24
公開日2013-08-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.785 Å)
主引用文献Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4BZ8
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BU of 4bz8 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with J1038
分子名称: (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbohydroxamic acid, HISTONE DEACETYLASE 8, POTASSIUM ION, ...
著者Marek, M, Romier, C.
登録日2013-07-24
公開日2013-08-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4QA4
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BU of 4qa4 by Molmil
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
4BZ6
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BU of 4bz6 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with SAHA
分子名称: DIMETHYLFORMAMIDE, GLYCEROL, HISTONE DEACETYLASE 8, ...
著者Marek, M, Romier, C.
登録日2013-07-24
公開日2013-08-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
5WGM
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BU of 5wgm by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ACY-1083
分子名称: 1,2-ETHANEDIOL, 2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ...
著者Porter, N.J, Christianson, D.W.
登録日2017-07-14
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4BZ9
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BU of 4bz9 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with J1075
分子名称: 3-chlorobenzothiophene-2-carbohydroxamic acid, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Marek, M, Romier, C.
登録日2013-07-24
公開日2013-08-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
5WGK
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BU of 5wgk by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with HPB
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hdac6 protein, ...
著者Porter, N.J, Christianson, D.W.
登録日2017-07-14
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.822 Å)
主引用文献Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4QA3
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BU of 4qa3 by Molmil
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
5THT
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BU of 5tht by Molmil
Crystal Structure of G303A HDAC8 in complex with M344
分子名称: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ...
著者Porter, N.J, Christianson, D.W.
登録日2016-09-30
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
4QA0
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BU of 4qa0 by Molmil
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
4QA7
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BU of 4qa7 by Molmil
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
4RN2
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BU of 4rn2 by Molmil
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
7JS8
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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
最終更新日2024-05-22
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

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件を2024-06-12に公開中

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