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Structure paper

TitleDiscovery of the 4-aminopiperidine-based compound EM127 for the site-specific covalent inhibition of SMYD3
Journal, issue, pagesEur. J. Med. Chem., Page 114683-, Year 2022
Publish dateJul 13, 2020 (structure data deposition date)
AuthorsParenti, M.D. / Naldi, M. / Manoni, E. / Fabini, E. / Cederfelt, D. / Talibov, V.O. / Gressani, V. / Guven, U. / Grossi, V. / Fasano, C. ...Parenti, M.D. / Naldi, M. / Manoni, E. / Fabini, E. / Cederfelt, D. / Talibov, V.O. / Gressani, V. / Guven, U. / Grossi, V. / Fasano, C. / Sanese, P. / De Marco, K. / Shtil, A.A. / Kurkin, A.V. / Altieri, A. / Danielson, U.H. / Caretti, G. / Simone, C. / Varchi, G. / Bartolini, M. / Del Rio, A.
External linksEur. J. Med. Chem. / Search PubMed
MethodsX-ray diffraction
Resolution1.55 Å
Structure data

PDB-6zrb:
Crystal structure of SMYD3 conjugate with piperidine-based covalent inhibitor EM127
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-SAM:
S-ADENOSYLMETHIONINE

ChemComp-QON:
N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

ChemComp-ACT:
ACETATE ION

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsONCOPROTEIN / Inhibitor / covalent inhibitor / complex / methyltransferase

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