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TitleSpecies-Selective Pyrimidineamine Inhibitors of Trypanosoma brucei S-Adenosylmethionine Decarboxylase.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 1182-1203, Year 2018
Publish dateNov 13, 2017 (structure data deposition date)
AuthorsVolkov, O.A. / Brockway, A.J. / Wring, S.A. / Peel, M. / Chen, Z. / Phillips, M.A. / De Brabander, J.K.
External linksJ. Med. Chem. / PubMed:29271204
MethodsX-ray diffraction
Resolution2.98 Å
Structure data

PDB-6bm7:
Crystal structure of Trypanosoma brucei AdoMetDC/prozyme heterodimer in complex with pyrimidineamine inhibitor UTSAM568
Method: X-RAY DIFFRACTION / Resolution: 2.98 Å

Chemicals

ChemComp-B3P:
2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-DY7:
2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium

ChemComp-PUT:
1,4-DIAMINOBUTANE

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

Source
  • trypanosoma brucei brucei (strain 927/4 gutat10.1) (eukaryote)
KeywordsLYASE/LYASE INHIBITOR / AdoMetDC / prozyme / decarboxylase / Trypanosoma / inhibitor / LYASE-LYASE INHIBITOR complex

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