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7SGG
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BU of 7sgg by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with SAHA
Descriptor: DI(HYDROXYETHYL)ETHER, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2021-10-05
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
7SGK
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Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with DKFZ-728
Descriptor: N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2021-10-05
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
7SGI
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BU of 7sgi by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Inhibitor 14
Descriptor: 5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2021-10-05
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
7SGJ
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BU of 7sgj by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with DKFZ-711
Descriptor: 1,2-ETHANEDIOL, 4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2021-10-05
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
5ZOO
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Crystal structure of histone deacetylase 4 (HDAC4) in complex with a SMRT corepressor SP1 fragment
Descriptor: Histone deacetylase 4, POTASSIUM ION, SMRT corepressor SP1 fragment, ...
Authors:Park, S.Y, Hwang, H.J, Kim, J.S.
Deposit date:2018-04-13
Release date:2018-11-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of the specific interaction of SMRT corepressor with histone deacetylase 4.
Nucleic Acids Res., 46, 2018
5ZOP
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Crystal structure of histone deacetylase 4 (HDAC4) in complex with a SMRT corepressor SP2 fragment
Descriptor: Histone deacetylase 4, POTASSIUM ION, SMRT corepressor SP2 fragment, ...
Authors:Park, S.Y, Hwang, H.J, Kim, J.S.
Deposit date:2018-04-13
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Structural basis of the specific interaction of SMRT corepressor with histone deacetylase 4.
Nucleic Acids Res., 46, 2018
5ZMP
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BU of 5zmp by Molmil
The structure of a lysine deacylase
Descriptor: ZINC ION, lysine deacylase
Authors:Ge, F.
Deposit date:2018-04-05
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The structure of a lysine deacylase
To Be Published
8BJK
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X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor CPD11352
Descriptor: Histone deacetylase 6, POTASSIUM ION, ZINC ION, ...
Authors:Barinka, C, Motlova, L, Pavlicek, J.
Deposit date:2022-11-04
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Comprehensive Mechanistic View of the Hydrolysis of Oxadiazole-Based Inhibitors by Histone Deacetylase 6 (HDAC6).
Acs Chem.Biol., 18, 2023
7U6B
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Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Indolethyl Piperidine-4-acrylhydroxamic Acid Inhibitor
Descriptor: (2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-03-03
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
7U69
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Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-acrylhydroxamic Acid Inhibitor
Descriptor: (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-03-03
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
7U3M
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BU of 7u3m by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with N-methylpiperazine Benzhydroxamic Acid
Descriptor: N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-02-27
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
7U6A
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BU of 7u6a by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 3-thienylmethyl Benzhydroxamic Acid Inhibitor
Descriptor: 1,2-ETHANEDIOL, N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-03-03
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
8CJ7
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BU of 8cj7 by Molmil
HDAC6 selective degraded (difluoromethyl)-1,3,4-oxadiazole substrate inhibitor
Descriptor: 6-[(5-pyridin-2-yl-1,2$l^{4},3,4-tetrazacyclopenta-1,3-dien-2-yl)methyl]pyridine-3-carbohydrazide, Histone deacetylase 6, IODIDE ION, ...
Authors:Sandmark, J, Ek, M, Ripa, L.
Deposit date:2023-02-12
Release date:2023-10-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Selective and Bioavailable HDAC6 2-(Difluoromethyl)-1,3,4-oxadiazole Substrate Inhibitors and Modeling of Their Bioactivation Mechanism.
J.Med.Chem., 66, 2023
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
Descriptor: 1,2-ETHANEDIOL, 4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide, ACETATE ION, ...
Authors:Watson, P.R, Cragin, A.D, Christianson, D.W.
Deposit date:2022-03-09
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of Fluorinated Peptoid-Based Histone Deacetylase (HDAC) Inhibitors for Therapy-Resistant Acute Leukemia.
J.Med.Chem., 65, 2022
7U59
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BU of 7u59 by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Piperidine-4-hydroxamic acid Inhibitor
Descriptor: 1,2-ETHANEDIOL, 1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-03-01
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:First Fluorescent Acetylspermidine Deacetylation Assay for HDAC10 Identifies Selective Inhibitors with Cellular Target Engagement.
Chembiochem, 23, 2022
8D9A
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BU of 8d9a by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 8
Descriptor: 2,3,5-trifluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2022-06-09
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
8D99
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BU of 8d99 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 7
Descriptor: 2,3,6-trifluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2022-06-09
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
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
Descriptor: 2,3,4,5,6-pentafluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2022-06-09
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
8D98
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Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 5
Descriptor: 3,5-difluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2022-06-09
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
8D9B
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BU of 8d9b by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 9
Descriptor: 2,3,5,6-tetrafluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2022-06-09
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
7UK2
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BU of 7uk2 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NN-390
Descriptor: Hdac6 protein, N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide, POTASSIUM ION, ...
Authors:Erdogan, F, Seo, H.-S, Dhe-Paganon, S.
Deposit date:2022-03-31
Release date:2022-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High Efficacy and Drug Synergy of HDAC6-Selective Inhibitor NN-429 in Natural Killer (NK)/T-Cell Lymphoma.
Pharmaceuticals, 15, 2022
6CGP
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BU of 6cgp by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2018-02-20
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multicomponent Synthesis and Binding Mode of Imidazo[1,2- a]pyridine-Capped Selective HDAC6 Inhibitors.
Org. Lett., 20, 2018
6CSP
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BU of 6csp by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with cyclohexenylhydroxamate
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2018-03-21
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.237 Å)
Cite:Entropy as a Driver of Selectivity for Inhibitor Binding to Histone Deacetylase 6.
Biochemistry, 57, 2018
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
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, N-hydroxycyclopent-1-ene-1-carboxamide, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2018-03-21
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Entropy as a Driver of Selectivity for Inhibitor Binding to Histone Deacetylase 6.
Biochemistry, 57, 2018
6CSQ
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with cyclohexylhydroxamate
Descriptor: Hdac6 protein, N-hydroxycyclohexanecarboxamide, POTASSIUM ION, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2018-03-21
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.031 Å)
Cite:Entropy as a Driver of Selectivity for Inhibitor Binding to Histone Deacetylase 6.
Biochemistry, 57, 2018

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