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Structure paper

TitleMolecular Basis for the Selective Inhibition of Histone Deacetylase 6 by a Mercaptoacetamide Inhibitor.
Journal, issue, pagesACS Med Chem Lett, Vol. 9, Page 1301-1305, Year 2018
Publish dateOct 11, 2018 (structure data deposition date)
AuthorsPorter, N.J. / Shen, S. / Barinka, C. / Kozikowski, A.P. / Christianson, D.W.
External linksACS Med Chem Lett / PubMed:30613344
MethodsX-ray diffraction
Resolution1.85 Å
Structure data

PDB-6mr5:
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with a mercaptoacetamide-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-K:
Unknown entry

ChemComp-W45:
N-[5-(5,6-dichloro-1H-indol-1-yl)pentyl]-2-sulfanylacetamide

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-FLC:
CITRATE ANION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • danio rerio (zebrafish)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / histone deacetylase / zinc hydrolase / HYDROLASE-HYDROLASE INHIBITOR complex

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