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TitleStructure-Based Design and Synthesis of Novel Inhibitors Targeting Hdac8 from Schistosoma Mansoni for the Treatment of Schistosomiasis.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 2423-, Year 2016
Publish dateJan 26, 2016 (structure data deposition date)
AuthorsHeimburg, T. / Chakrabarti, A. / Lancelot, J. / Marek, M. / Melesina, J. / Hauser, A.T. / Shaik, T.B. / Duclaud, S. / Robaa, D. / Erdmann, F. ...Heimburg, T. / Chakrabarti, A. / Lancelot, J. / Marek, M. / Melesina, J. / Hauser, A.T. / Shaik, T.B. / Duclaud, S. / Robaa, D. / Erdmann, F. / Schmidt, M. / Romier, C. / Pierce, R.J. / Jung, M. / Sippl, W.
External linksJ. Med. Chem. / PubMed:26937828
MethodsX-ray diffraction
Resolution2.199 Å
Structure data

PDB-5fue:
Crystal structure of Schistosoma mansoni HDAC8 complexed with 3- benzamido-benzohydroxamate
Method: X-RAY DIFFRACTION / Resolution: 2.199 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-K:
Unknown entry

ChemComp-UV4:
3-(benzoylamino)-N-oxobenzamide

ChemComp-GOL:
GLYCEROL

ChemComp-DMF:
DIMETHYLFORMAMIDE

ChemComp-HOH:
WATER

Source
  • schistosoma mansoni (invertebrata)
KeywordsHYDROLASE / PLATYHELMINTHS / INHIBITION / HISTONE / DEACETYLATION

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