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Structure paper

TitleNovel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 9988-9997, Year 2012
Publish dateOct 11, 2012 (structure data deposition date)
AuthorsPurohit, M.K. / Poduch, E. / Wei, L.W. / Crandall, I.E. / To, T. / Kain, K.C. / Pai, E.F. / Kotra, L.P.
External linksJ. Med. Chem. / PubMed:22991951
MethodsX-ray diffraction
Resolution1.75 - 1.8 Å
Structure data

PDB-4hib:
Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with CMP-N4-OH
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4hkp:
Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with CMP-N3-oxide
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-CL:
Unknown entry

ChemComp-16B:
N-hydroxycytidine 5'-(dihydrogen phosphate)

ChemComp-HOH:
WATER

ChemComp-TKW:
5-hydroxycytidine 5'-(dihydrogen phosphate)

Source
  • homo sapiens (human)
KeywordsLYASE/LYASE INHIBITOR / alpa-beta barrel / tim barrel / decarboxylase / LYASE-LYASE INHIBITOR complex / Alpha-Beta Barrel

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