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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7KBH
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7KBG
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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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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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6V7A
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with NF2657 | | Descriptor: | Hdac6 protein, N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide, POTASSIUM ION, ... | | Authors: | Osko, J.D, Christianson, D.W. | | Deposit date: | 2019-12-08 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.0874176 Å) | | Cite: | Spiroindoline-Capped Selective HDAC6 Inhibitors: Design, Synthesis, Structural Analysis, and Biological Evaluation.
Acs Med.Chem.Lett., 11, 2020
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6V79
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with NF2376 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[(2S)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]methyl}-N-hydroxybenzamide, Hdac6 protein, ... | | Authors: | Osko, J.D, Christianson, D.W. | | Deposit date: | 2019-12-08 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.03951526 Å) | | Cite: | Harnessing the Role of HDAC6 in Idiopathic Pulmonary Fibrosis: Design, Synthesis, Structural Analysis, and Biological Evaluation of Potent Inhibitors.
J.Med.Chem., 64, 2021
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7AOA
 | | Structure of the extended MTA1/HDAC1/MBD2/RBBP4 NURD deacetylase complex | | Descriptor: | Histone deacetylase 1, Histone-binding protein RBBP4, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Millard, C.J, Fairall, L, Ragan, T.J, Savva, C.G, Schwabe, J.W.R. | | Deposit date: | 2020-10-14 | | Release date: | 2020-11-11 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (19.4 Å) | | Cite: | The topology of chromatin-binding domains in the NuRD deacetylase complex.
Nucleic Acids Res., 48, 2020
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7AO9
 | | Structure of the core MTA1/HDAC1/MBD2 NURD deacetylase complex | | Descriptor: | Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, Metastasis-associated protein MTA1, ... | | Authors: | Millard, C.J, Fairall, L, Ragan, T.J, Savva, C.G, Schwabe, J.W.R. | | Deposit date: | 2020-10-14 | | Release date: | 2020-11-11 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | The topology of chromatin-binding domains in the NuRD deacetylase complex.
Nucleic Acids Res., 48, 2020
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7AO8
 | | Structure of the MTA1/HDAC1/MBD2 NURD deacetylase complex | | Descriptor: | Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, Metastasis-associated protein MTA1, ... | | Authors: | Millard, C.J, Fairall, L, Ragan, T.J, Savva, C.G, Schwabe, J.W.R. | | Deposit date: | 2020-10-14 | | Release date: | 2020-11-11 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | The topology of chromatin-binding domains in the NuRD deacetylase complex.
Nucleic Acids Res., 48, 2020
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6TCY
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6WYQ
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with 4-iodo-SAHA | | Descriptor: | Histone deacetylase 6, N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide, POTASSIUM ION, ... | | Authors: | Osko, J.D, Christianson, D.W. | | Deposit date: | 2020-05-13 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.90001464 Å) | | Cite: | Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6.
Acta Crystallogr.,Sect.F, 76, 2020
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6WYP
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with SAHA-BPyne | | Descriptor: | Histone deacetylase 6, N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide, POTASSIUM ION, ... | | Authors: | Osko, J.D, Christianson, D.W. | | Deposit date: | 2020-05-13 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.40006351 Å) | | Cite: | Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6.
Acta Crystallogr.,Sect.F, 76, 2020
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6WYO
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) H82F F202Y double mutant complexed with Trichostatin A | | Descriptor: | Histone deacetylase 6, POTASSIUM ION, TRICHOSTATIN A, ... | | Authors: | Osko, J.D, Christianson, D.W. | | Deposit date: | 2020-05-13 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.30000281 Å) | | Cite: | Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6.
Acta Crystallogr.,Sect.F, 76, 2020
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6XEB
 | | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E) | | Descriptor: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Clausen, D. | | Deposit date: | 2020-06-12 | | Release date: | 2020-08-12 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
Bioorg.Med.Chem.Lett., 30, 2020
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6XEC
 | | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND O) | | Descriptor: | (1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Clausen, D. | | Deposit date: | 2020-06-12 | | Release date: | 2020-08-12 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
Bioorg.Med.Chem.Lett., 30, 2020
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6PYE
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NR160 | | Descriptor: | 1,2-ETHANEDIOL, Hdac6 protein, N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide, ... | | Authors: | Osko, J.D, Christianson, D.W. | | Deposit date: | 2019-07-29 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.480003 Å) | | Cite: | Multicomponent Synthesis, Binding Mode, and Structure-Activity Relationship of Selective Histone Deacetylase 6 (HDAC6) Inhibitors with Bifurcated Capping Groups.
J.Med.Chem., 63, 2020
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6XDM
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6WBQ
 | | Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Tubastatin A | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide, PHOSPHATE ION, ... | | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | | Deposit date: | 2020-03-27 | | Release date: | 2020-07-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase.
Acs Chem.Biol., 15, 2020
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6WDX
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