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Structure paper

TitleHuman SHMT inhibitors reveal defective glycine import as a targetable metabolic vulnerability of diffuse large B-cell lymphoma.
Journal, issue, pagesProc. Natl. Acad. Sci. U.S.A., Vol. 114, Page 11404-11409, Year 2017
Publish dateMar 20, 2017 (structure data deposition date)
AuthorsDucker, G.S. / Ghergurovich, J.M. / Mainolfi, N. / Suri, V. / Jeong, S.K. / Hsin-Jung Li, S. / Friedman, A. / Manfredi, M.G. / Gitai, Z. / Kim, H. / Rabinowitz, J.D.
External linksProc. Natl. Acad. Sci. U.S.A. / PubMed:29073064
MethodsX-ray diffraction
Resolution2.47 Å
Structure data

PDB-5v7i:
Crystal structure of homo sapiens serine hydroxymethyltransferase 2 (mitochondrial) (SHMT2), in complex with glycine, PLP and folate-competitive pyrazolopyran inhibitor: 6-amino-4-isopropyl-3-methyl-4-(3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Method: X-RAY DIFFRACTION / Resolution: 2.47 Å

Chemicals

ChemComp-8Z1:
(4R)-6-amino-3-methyl-4-(propan-2-yl)-4-[3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

ChemComp-GOL:
GLYCEROL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-GLY:
GLYCINE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / SHMT2 / serine catabolism / antifolate / Transferase-Transferase Inhibitor complex

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