6GXW
 
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 4 | | Descriptor: | (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-06-27 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.071 Å) | | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
|
|
6GXU
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 3 | | Descriptor: | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-06-27 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.917 Å) | | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
|
|
5W5K
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with KV70 | | Descriptor: | 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium, Histone deacetylase 6, POTASSIUM ION, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2017-06-15 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Synthesis and Biological Investigation of Phenothiazine-Based Benzhydroxamic Acids as Selective Histone Deacetylase 6 Inhibitors.
J.Med.Chem., 62, 2019
|
|
6G3O
 | | Crystal structure of human HDAC2 in complex with (R)-6-[3,4-Dioxo-2-(4-trifluoromethoxy-phenylamino)-cyclobut-1-enylamino]-heptanoic acid hydroxyamide | | Descriptor: | (6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide, CALCIUM ION, Histone deacetylase 2, ... | | Authors: | Isabet, T, Aurelly, M, Chantalat, L, Thoreau, E. | | Deposit date: | 2018-03-26 | | Release date: | 2018-06-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Squaramides as novel class I and IIB histone deacetylase inhibitors for topical treatment of cutaneous t-cell lymphoma.
Bioorg. Med. Chem. Lett., 28, 2018
|
|
6CGP
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032 | | Descriptor: | 1,2-ETHANEDIOL, Hdac6 protein, N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide, ... | | Authors: | Osko, J.D, Christianson, D.W. | | Deposit date: | 2018-02-20 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Multicomponent Synthesis and Binding Mode of Imidazo[1,2- a]pyridine-Capped Selective HDAC6 Inhibitors.
Org. Lett., 20, 2018
|
|
6CSP
 | |
6CSS
 | |
6CSQ
 | |
6CSR
 | |
5WGI
 | |
5WGM
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ACY-1083 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2017-07-14 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5WGK
 | |
5WGL
 | |
5VI6
 | | Crystal structure of histone deacetylase 8 in complex with trapoxin A | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Histone deacetylase 8, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2017-04-14 | | Release date: | 2017-09-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.237 Å) | | Cite: | Binding of the Microbial Cyclic Tetrapeptide Trapoxin A to the Class I Histone Deacetylase HDAC8.
ACS Chem. Biol., 12, 2017
|
|
5TD7
 | | Crystal structure of histone deacetylase 10 | | Descriptor: | 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol, PENTAETHYLENE GLYCOL, PHOSPHATE ION, ... | | Authors: | Hai, Y, Shinsky, S.A, Porter, N.J, Christianson, D.W. | | Deposit date: | 2016-09-17 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Histone deacetylase 10 structure and molecular function as a polyamine deacetylase.
Nat Commun, 8, 2017
|
|
5G17
 | | Bordetella Alcaligenes HDAH (T101A) bound to 9,9,9-trifluoro-8,8- dihydroxy-N-phenylnonanamide. | | Descriptor: | 9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, POTASSIUM ION, ... | | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | | Deposit date: | 2016-03-23 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket.
Biochim. Biophys. Acta, 1861, 2017
|
|
5G1B
 | | Bordetella Alcaligenes HDAH native | | Descriptor: | DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, PENTAETHYLENE GLYCOL, ... | | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | | Deposit date: | 2016-03-24 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket.
Biochim. Biophys. Acta, 1861, 2017
|
|
5G1A
 | | Bordetella Alcaligenes HDAH bound to PFSAHA | | Descriptor: | 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | | Deposit date: | 2016-03-24 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket.
Biochim. Biophys. Acta, 1861, 2017
|
|
5THS
 | | Crystal Structure of G302A HDAC8 in complex with M344 | | Descriptor: | 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2016-09-30 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
|
|
5THU
 | | Crystal Structure of G304A HDAC8 in complex with M344 | | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2016-09-30 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
|
|
5THV
 | | Crystal Structure of G305A HDAC8 in complex with M344 | | Descriptor: | 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2016-09-30 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.868 Å) | | Cite: | Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
|
|
5THT
 | | Crystal Structure of G303A HDAC8 in complex with M344 | | Descriptor: | 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2016-09-30 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.407 Å) | | Cite: | Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
|
|
5G12
 | |
5G13
 | |
5G0Y
 | |
