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Structure paper

TitleDiscovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 10299-10309, Year 2018
Publish dateMar 30, 2018 (structure data deposition date)
AuthorsBhatia, S. / Krieger, V. / Groll, M. / Osko, J.D. / Reßing, N. / Ahlert, H. / Borkhardt, A. / Kurz, T. / Christianson, D.W. / Hauer, J. / Hansen, F.K.
External linksJ. Med. Chem. / PubMed:30365892
MethodsX-ray diffraction
Resolution1.9 - 2.5 Å
Structure data

PDB-6cw8:
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with RTS-V5
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6h39:
Yeast 20S proteasome in complex with the peptidic non-covalent binding inhibitor RTS-V5
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-K:
Unknown entry

ChemComp-FGY:
N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-MG:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-SO4:
SULFATE ION

Source
  • danio rerio (zebrafish)
  • saccharomyces cerevisiae (strain atcc 204508 / s288c) (yeast)
KeywordsHYDROLASE / Histone deacetylase / metallohydrolase / HYDROLASE-HYDROLASE INHIBITOR complex / Proteasome / Histone-Deacetylase / Dual Binding Inhibitor / Binding Analysis

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