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Structure paper

TitleTight binding enantiomers of pre-clinical drug candidates.
Journal, issue, pagesBioorg. Med. Chem., Vol. 23, Page 5326-5333, Year 2015
Publish dateMar 6, 2015 (structure data deposition date)
AuthorsEvans, G.B. / Cameron, S.A. / Luxenburger, A. / Guan, R. / Suarez, J. / Thomas, K. / Schramm, V.L. / Tyler, P.C.
External linksBioorg. Med. Chem. / PubMed:26260335
MethodsX-ray diffraction
Resolution1.75 Å
Structure data

PDB-4yml:
Crystal structure of Escherichia coli 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3S,4R)-methylthio-DADMe-Immucillin-A
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-4F0:
(3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

Source
  • escherichia coli (E. coli)
KeywordsHydrolase/Hydrolase Inhibitor / hydrolase / Hydrolase-Hydrolase Inhibitor complex

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