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TitleFirst-in-class allosteric inhibitors of bacterial IMPDHs.
Journal, issue, pagesEur J Med Chem, Vol. 167, Page 124-132, Year 2019
Publish dateMay 17, 2018 (structure data deposition date)
AuthorsAlexandre, T. / Lupan, A. / Helynck, O. / Vichier-Guerre, S. / Dugue, L. / Gelin, M. / Haouz, A. / Labesse, G. / Munier-Lehmann, H.
External linksEur J Med Chem / PubMed:30769241
MethodsX-ray diffraction
Resolution2.11 - 2.54 Å
Structure data

PDB-6gjv:
apo-structure of IMPDH from Pseudomonas aeruginosa
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

PDB-6gk9:
Inhibited structure of IMPDH from Pseudomonas aeruginosa
Method: X-RAY DIFFRACTION / Resolution: 2.54 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-F2K:
(5~{S})-7-azanyl-5-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile

ChemComp-SO4:
SULFATE ION

Source
  • pseudomonas aeruginosa pao1 (bacteria)
KeywordsOXIDOREDUCTASE / Inosine-5'-monophosphate dehydrogenase / IMP dehydrogenase / nucleotide biosynthesis / allosteric regulation

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