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Structure paper

TitleDiscovery of Reversible Inhibitors of KDM1A Efficacious in Acute Myeloid Leukemia Models.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 11, Page 754-759, Year 2020
Publish dateNov 11, 2019 (structure data deposition date)
AuthorsRomussi, A. / Cappa, A. / Vianello, P. / Brambillasca, S. / Cera, M.R. / Dal Zuffo, R. / Faga, G. / Fattori, R. / Moretti, L. / Trifiro, P. ...Romussi, A. / Cappa, A. / Vianello, P. / Brambillasca, S. / Cera, M.R. / Dal Zuffo, R. / Faga, G. / Fattori, R. / Moretti, L. / Trifiro, P. / Villa, M. / Vultaggio, S. / Cecatiello, V. / Pasqualato, S. / Dondio, G. / So, C.W.E. / Minucci, S. / Sartori, L. / Varasi, M. / Mercurio, C.
External linksAcs Med. Chem. Lett. / PubMed:32435381
MethodsX-ray diffraction
Resolution3.11 Å
Structure data

PDB-6te1:
Structure of the KDM1A/CoREST complex with the inhibitor 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol
Method: X-RAY DIFFRACTION / Resolution: 3.11 Å

Chemicals

ChemComp-N4K:
5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / HISTONE DEMETHYLASE / INHIBITOR / COMPLEX

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