7KBH
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7KUS
| Crystal Structure of Danio rerio Histone Deacetylase 10 H137A Mutant in Complex with N8-Acetylspermidine (Tetrahedral Intermediate) | Descriptor: | 1,2-ETHANEDIOL, 1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | Deposit date: | 2020-11-25 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10. Biochemistry, 60, 2021
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7KUQ
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7KUR
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7KUV
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7KUT
| Crystal Structure of Danio rerio Histone Deacetylase 10 H137A Mutant in Complex with N-Acetylputrescine (Tetrahedral Intermediate) | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-aminobutyl)amino]ethane-1,1-diol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | Deposit date: | 2020-11-25 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10. Biochemistry, 60, 2021
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7JVW
| Crystal structure of human histone deacetylase 8 (HDAC8) G320R mutation complexed with M344 | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ... | Authors: | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | Deposit date: | 2020-08-24 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.40301776 Å) | Cite: | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders. J.Struct.Biol., 213, 2020
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7JVV
| Crystal structure of human histone deacetylase 8 (HDAC8) E66D/Y306F double mutation complexed with a tetrapeptide substrate | Descriptor: | 1,2-ETHANEDIOL, ACE-ARG-HIS-ALY-ALY-MCM, GLYCEROL, ... | Authors: | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | Deposit date: | 2020-08-24 | Release date: | 2020-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders. J.Struct.Biol., 213, 2020
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7JVU
| Crystal structure of human histone deacetylase 8 (HDAC8) I45T mutation complexed with SAHA | Descriptor: | 1,2-ETHANEDIOL, Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ... | Authors: | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | Deposit date: | 2020-08-24 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5004766 Å) | Cite: | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders. J.Struct.Biol., 213, 2020
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7KBG
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7JOM
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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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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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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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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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7ZZO
| HDAC2 in complex with an inhibitor | Descriptor: | 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-21 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (2 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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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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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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7ZW7
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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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6PHT
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6PID
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6PI8
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