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TitleDevelopment of Fluorinated Peptoid-Based Histone Deacetylase (HDAC) Inhibitors for Therapy-Resistant Acute Leukemia.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 15457-15472, Year 2022
Publish dateMar 9, 2022 (structure data deposition date)
AuthorsRessing, N. / Schliehe-Diecks, J. / Watson, P.R. / Sonnichsen, M. / Cragin, A.D. / Scholer, A. / Yang, J. / Schaker-Hubner, L. / Borkhardt, A. / Christianson, D.W. ...Ressing, N. / Schliehe-Diecks, J. / Watson, P.R. / Sonnichsen, M. / Cragin, A.D. / Scholer, A. / Yang, J. / Schaker-Hubner, L. / Borkhardt, A. / Christianson, D.W. / Bhatia, S. / Hansen, F.K.
External linksJ. Med. Chem. / PubMed:36351184
MethodsX-ray diffraction
Resolution1.85 Å
Structure data

PDB-7u8z:
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with fluorinated peptoid inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-ACT:
ACETATE ION

ChemComp-M0I:
4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide

ChemComp-ZN:
Unknown entry

ChemComp-K:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-MLI:
MALONATE ION

ChemComp-HOH:
WATER

Source
  • danio rerio (zebrafish)
KeywordsHYDROLASE/INHIBITOR / Hydrolase / histone deacetylase / inhibitor / metallohydrolase / HYDROLASE-INHIBITOR complex

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