6UFO
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6UO4
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6UIL
| Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptan-2-one | Descriptor: | 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | Deposit date: | 2019-10-01 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation. Biochemistry, 58, 2019
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6UO7
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6UOC
| Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with Givinostat | Descriptor: | 1,2-ETHANEDIOL, Givinostat, Histone deacetylase 6, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2019-10-14 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.400008 Å) | Cite: | Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6. Biochemistry, 58, 2019
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6UOB
| Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with Resminostat | Descriptor: | 1,2-ETHANEDIOL, Histone deacetylase 6, PHENYLALANINE, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2019-10-14 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.58000576 Å) | Cite: | Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6. Biochemistry, 58, 2019
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6R0K
| X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with a inhibitor SS208 | Descriptor: | 5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide, Histone deacetylase 6, POTASSIUM ION, ... | Authors: | Barinka, C, Ustinova, K, Motlova, L, Pavlicek, J. | Deposit date: | 2019-03-13 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Discovery of a New Isoxazole-3-hydroxamate-Based Histone Deacetylase 6 Inhibitor SS-208 with Antitumor Activity in Syngeneic Melanoma Mouse Models. J.Med.Chem., 62, 2019
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6PHT
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6PID
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6PI8
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6PHZ
| Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptan-2-one | Descriptor: | 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol, Acetylpolyamine Amidohydrolase, MAGNESIUM ION, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2019-06-25 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani. Biochemistry, 58, 2019
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6PIA
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6PHR
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6PI1
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6PIC
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6FU1
| Crystal structure of Schistosoma mansoni HDAC8 complexed with a n-alkyl hydroxamate | Descriptor: | GLYCEROL, Histone deacetylase, POTASSIUM ION, ... | Authors: | Marek, M, Shaik, T.B, Romier, C. | Deposit date: | 2018-02-26 | Release date: | 2019-03-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.548 Å) | Cite: | A Novel Class of Schistosoma mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified by Structure-Based Virtual Screening and In Vitro Testing. Molecules, 23, 2018
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5ZMP
| 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
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6GJK
| A degradation product of PD 404182 (P2742) bound to Histone Deacetylase-like Amidohydrolase | Descriptor: | 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol, ACETATE ION, D-MALATE, ... | Authors: | Kraemer, A, Meyer-Almes, F.J. | Deposit date: | 2018-05-16 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Covalent inhibition of histone deacetylase 8 by 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine. Biochim Biophys Acta Gen Subj, 1863, 2019
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6FYZ
| Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor | Descriptor: | (2~{S})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{N}-oxidanyl-ethanamide, Histone deacetylase 4, SODIUM ION, ... | Authors: | Luckhurst, C.A, Maillard, M.C, Dominguez, C. | Deposit date: | 2018-03-13 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor. Bioorg. Med. Chem. Lett., 29, 2019
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6MR5
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6CW8
| Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with RTS-V5 | Descriptor: | 1,2-ETHANEDIOL, Hdac6 protein, N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2018-03-30 | Release date: | 2018-11-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor. J. Med. Chem., 61, 2018
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5ZOO
| 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
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6HSG
| Crystal structure of Schistosoma mansoni HDAC8 H292M mutant complexed with NCC-149 | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-01 | Release date: | 2018-10-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.846 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HU1
| Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 10 | Descriptor: | 4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HU0
| Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 9 | Descriptor: | 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.746 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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