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PDB: 77 件
6UO2
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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
8D98
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Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 5
分子名称: 3,5-difluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2022-06-09
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
6WSJ
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Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.3.1
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2020-05-01
公開日2021-04-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
5WGL
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ricolinostat (ACY-1215)
分子名称: 1,2-ETHANEDIOL, 2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide, CITRATE ANION, ...
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 (1.7 Å)
主引用文献Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6CSS
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BU of 6css by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with cyclopentenylhydroxamate
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, N-hydroxycyclopent-1-ene-1-carboxamide, ...
著者Porter, N.J, Christianson, D.W.
登録日2018-03-21
公開日2018-05-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Entropy as a Driver of Selectivity for Inhibitor Binding to Histone Deacetylase 6.
Biochemistry, 57, 2018
5EFJ
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with HC toxin
分子名称: 1,2-ETHANEDIOL, GLYCEROL, HC toxin, ...
著者Hai, Y, Christianson, D.W.
登録日2015-10-23
公開日2016-07-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
6PZU
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BU of 6pzu by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with AP-1-62-A
分子名称: Hdac6 protein, N-[(benzyloxy)carbonyl]-L-leucyl-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-L-alaninamide, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
8D9A
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Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 8
分子名称: 2,3,5-trifluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2022-06-09
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
6Q0Z
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JS28
分子名称: 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide, Hdac6 protein, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-02
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
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
8G20
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BU of 8g20 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz327
分子名称: 1,2-ETHANEDIOL, 4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide, ETHANOL, ...
著者Tararina, M.A, Christianson, D.W.
登録日2023-02-03
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.766 Å)
主引用文献Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
8D99
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Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 7
分子名称: 2,3,6-trifluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2022-06-09
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
6PZS
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BU of 6pzs by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JR005
分子名称: 4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide, CHLORIDE ION, Hdac6 protein, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
5EFN
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BU of 5efn by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (H574A) in complex with histone H4 Lys6 tripeptide substrate
分子名称: 1,2-ETHANEDIOL, 7-AMINO-4-METHYL-CHROMEN-2-ONE, Hdac6 protein, ...
著者Hai, Y, Christianson, D.W.
登録日2015-10-24
公開日2016-07-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
8D9C
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BU of 8d9c by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 10
分子名称: 2,3,4,5,6-pentafluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2022-06-09
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
5EFK
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BU of 5efk by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (Y745F mutant) in complex with alpha tubulin K40 tripeptide substrate
分子名称: 1,2-ETHANEDIOL, 7-AMINO-4-METHYL-CHROMEN-2-ONE, DI(HYDROXYETHYL)ETHER, ...
著者Hai, Y, Christianson, D.W.
登録日2015-10-23
公開日2016-07-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
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
7JOM
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BU of 7jom by Molmil
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
7U8Z
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BU of 7u8z by Molmil
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
6MR5
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BU of 6mr5 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with a mercaptoacetamide-based inhibitor
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Porter, N.J, Christianson, D.W.
登録日2018-10-11
公開日2018-12-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular Basis for the Selective Inhibition of Histone Deacetylase 6 by a Mercaptoacetamide Inhibitor.
ACS Med Chem Lett, 9, 2018
5EEN
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BU of 5een by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with belinostat
分子名称: Belinostat, CHLORIDE ION, Hdac6 protein, ...
著者Hai, Y, Christianson, D.W.
登録日2015-10-23
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
8G1Z
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BU of 8g1z by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz317
分子名称: 1,2-ETHANEDIOL, 4-(acetamidomethyl)-N-hydroxybenzamide, Hdac6 protein, ...
著者Tararina, M.A, Christianson, D.W.
登録日2023-02-03
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
5G0F
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BU of 5g0f by Molmil
Crystal structure of Danio rerio HDAC6 ZnF-UBP domain
分子名称: GLYCINE, HDAC6, NICKEL (II) ION, ...
著者Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
登録日2016-03-18
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
5EF7
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BU of 5ef7 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with HPOB
分子名称: 4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{N}-oxidanyl-benzamide, Hdac6 protein, POTASSIUM ION, ...
著者Hai, Y, Christianson, D.W.
登録日2015-10-23
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
7O2P
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BU of 7o2p by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ITF3756
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A.
登録日2021-03-31
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Role of Fluorination in the Histone Deacetylase 6 (HDAC6) Selectivity of Benzohydroxamate-Based Inhibitors.
Acs Med.Chem.Lett., 12, 2021

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