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PDB: 13 results

7U8Z
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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
7JOM
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-317
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, Hdac6 protein, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2020-08-06
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Unique Molecular Interaction with the Histone Deacetylase 6 Catalytic Tunnel: Crystallographic and Biological Characterization of a Model Chemotype.
J.Med.Chem., 64, 2021
6WSJ
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Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.3.1
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2020-05-01
Release date:2021-04-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
8D9C
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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
8D99
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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
8D9B
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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
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
8D9A
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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
8SZT
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Structure of Kdac1 from Acinetobacter baumannii
Descriptor: CHLORIDE ION, Histone deacetylase domain-containing protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2023-05-30
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Function of Kdac1, a Class II Deacetylase from the Multidrug-Resistant Pathogen Acinetobacter baumannii .
Biochemistry, 62, 2023
8SZU
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Structure of Kdac1-Citarinostat complex from Acinetobacter baumannii
Descriptor: Citarinostat, Histone deacetylase domain-containing protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2023-05-30
Release date:2023-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and Function of Kdac1, a Class II Deacetylase from the Multidrug-Resistant Pathogen Acinetobacter baumannii .
Biochemistry, 62, 2023
8TQ0
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with (R)-Lipoic Acid
Descriptor: DIHYDROLIPOIC ACID, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2023-08-06
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of histone deacetylase 6 complexed with (R)-lipoic acid, an essential cofactor in central carbon metabolism.
J.Biol.Chem., 299, 2023
8EQI
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Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.2.0
Descriptor: Cyclopeptide des4.2.0, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2022-10-07
Release date:2023-04-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Macrocyclic Octapeptide Binding and Inferences on Protein Substrate Binding to Histone Deacetylase 6.
Acs Chem.Biol., 18, 2023
8GD4
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Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with DMFO Inhibitor 6
Descriptor: 2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Craigin, A.D, Christianson, D.W.
Deposit date:2023-03-03
Release date:2023-10-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Difluoromethyl-1,3,4-oxadiazoles Are Selective, Mechanism-Based, and Essentially Irreversible Inhibitors of Histone Deacetylase 6 .
J.Med.Chem., 66, 2023

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PDB entries from 2024-05-01

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