8HPO
 
 | | Cryo-EM structure of a SIN3/HDAC complex from budding yeast | | Descriptor: | Histone deacetylase RPD3, PHOSPHOTHREONINE, POTASSIUM ION, ... | | Authors: | Guo, Z, Zhan, X, Wang, C. | | Deposit date: | 2022-12-12 | | Release date: | 2023-05-03 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structure of a SIN3-HDAC complex from budding yeast.
Nat.Struct.Mol.Biol., 30, 2023
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8GD4
 | | 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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8GA8
 | | Structure of the yeast (HDAC) Rpd3L complex | | Descriptor: | Histone deacetylase RPD3, Transcriptional regulatory protein DEP1, Transcriptional regulatory protein PHO23, ... | | Authors: | Patel, A.B, Radhakrishnan, I, He, Y. | | Deposit date: | 2023-02-22 | | Release date: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structure of the Saccharomyces cerevisiae Rpd3L histone deacetylase complex.
Nat Commun, 14, 2023
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8G20
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8G1Z
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8EQI
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8D9C
 | | 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
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8D9B
 | | 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
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8D9A
 | | 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
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8D99
 | | 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
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8D98
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8CJ7
 | | 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
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8C60
 | | Cryo-EM structure of the human SIN3B full-length complex at 3.4 Angstrom resolution | | Descriptor: | CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ... | | Authors: | Alfieri, C, Wan, S.M, Muhammad, R. | | Deposit date: | 2023-01-10 | | Release date: | 2023-05-10 | | Last modified: | 2023-05-17 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex.
Nat Commun, 14, 2023
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8BPC
 | | Cryo-EM structure of the human SIN3B histone deacetylase core complex with SAHA at 2.8 Angstrom | | Descriptor: | CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ... | | Authors: | Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C. | | Deposit date: | 2022-11-16 | | Release date: | 2023-05-10 | | Last modified: | 2023-05-17 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex.
Nat Commun, 14, 2023
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8BPB
 | | Cryo-EM structure of the human SIN3B histone deacetylase core complex at 2.8 Angstrom | | Descriptor: | ACETATE ION, CALCIUM ION, Histone deacetylase 2, ... | | Authors: | Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C. | | Deposit date: | 2022-11-16 | | Release date: | 2023-05-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex.
Nat Commun, 14, 2023
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8BPA
 | | Cryo-EM structure of the human SIN3B histone deacetylase complex at 3.7 Angstrom | | Descriptor: | CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ... | | Authors: | Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C. | | Deposit date: | 2022-11-16 | | Release date: | 2023-05-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex.
Nat Commun, 14, 2023
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8BJK
 | | 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
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8A8Z
 | | Crystal structure of Danio rerio HDAC6 CD2 in complex with in situ enzymatically hydrolyzed DFMO-based ITF5924 | | Descriptor: | 4-[[4-[4-(imidazolidin-2-ylideneamino)phenyl]-1,2,3-triazol-1-yl]methyl]benzohydrazide, Histone deacetylase 6, POTASSIUM ION, ... | | Authors: | Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A. | | Deposit date: | 2022-06-27 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Difluoromethyl-1,3,4-oxadiazoles are slow-binding substrate analog inhibitors of histone deacetylase 6 with unprecedented isotype selectivity.
J.Biol.Chem., 299, 2022
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8A0B
 | | Inhibitor binding to HDAC2 | | Descriptor: | 1,2-ETHANEDIOL, 1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-27 | | Release date: | 2022-09-21 | | Last modified: | 2022-11-02 | | Method: | X-RAY DIFFRACTION (1.746 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7ZZW
 | | Ligand binding to HDAC2 | | Descriptor: | 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-26 | | Release date: | 2022-09-21 | | Last modified: | 2022-11-02 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7ZZU
 | | Inhibitory Ligand binding to HDAC2 | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-26 | | Release date: | 2022-09-21 | | Last modified: | 2022-11-02 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7ZZT
 | | Ligand binding to HDAC2 | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-26 | | Release date: | 2022-09-21 | | Last modified: | 2022-11-02 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7ZZS
 | | HDAC2 complexed with an inhibitory ligand | | Descriptor: | (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one, 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-26 | | Release date: | 2022-09-21 | | Last modified: | 2022-11-02 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7ZZR
 | | HDAC2 in complex with inhibitory ligand | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-26 | | Release date: | 2022-09-21 | | Last modified: | 2022-11-02 | | Method: | X-RAY DIFFRACTION (2.168 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7ZZP
 | | Structure of HDAC2 complexed with an inhibitory ligand | | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-25 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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