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Structure paper

TitleStructural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Journal, issue, pagesPlos Pathog., Vol. 9, Page 03645-, Year 2013
Publish dateJul 24, 2013 (structure data deposition date)
AuthorsMarek, M. / Kannan, S. / Hauser, A. / Moraes Mourao, M. / Caby, S. / Cura, V. / Stolfa, D.A. / Schmidtkunz, K. / Lancelot, J. / Andrade, L. ...Marek, M. / Kannan, S. / Hauser, A. / Moraes Mourao, M. / Caby, S. / Cura, V. / Stolfa, D.A. / Schmidtkunz, K. / Lancelot, J. / Andrade, L. / Renaud, J. / Oliveira, G. / Sippl, W. / Jung, M. / Cavarelli, J. / Pierce, R.J. / Romier, C.
External linksPlos Pathog. / PubMed:24086136
MethodsX-ray diffraction
Resolution1.65 - 2.21 Å
Structure data

PDB-4bz5:
Crystal structure of Schistosoma mansoni HDAC8
Method: X-RAY DIFFRACTION / Resolution: 1.785 Å

PDB-4bz6:
Crystal structure of Schistosoma mansoni HDAC8 complexed with SAHA
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-4bz7:
Crystal structure of Schistosoma mansoni HDAC8 complexed with M344
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-4bz8:
Crystal structure of Schistosoma mansoni HDAC8 complexed with J1038
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

PDB-4bz9:
Crystal structure of Schistosoma mansoni HDAC8 complexed with J1075
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-K:
Unknown entry

ChemComp-TLA:
L(+)-TARTARIC ACID

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-SHH:
OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE

ChemComp-DMF:
DIMETHYLFORMAMIDE

ChemComp-B3N:
4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide

ChemComp-J38:
(2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbohydroxamic acid

ChemComp-KMY:
3-chlorobenzothiophene-2-carbohydroxamic acid

Source
  • schistosoma mansoni (invertebrata)
KeywordsHYDROLASE / PLATYHELMINTHS / INHIBITION / HDAC8 / INHIBITOR / TRANSFERASE / EPIGENETICS

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