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TitleThe structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition.
Journal, issue, pagesActa Crystallogr. ,Sect. D, Vol. 61, Page 1320-1334, Year 2005
Publish dateJul 12, 2005 (structure data deposition date)
AuthorsFiner-Moore, J.S. / Anderson, A.C. / O'Neil, R.H. / Costi, M.P. / Ferrari, S. / Krucinski, J. / Stroud, R.M.
External linksActa Crystallogr. ,Sect. D / PubMed:16204883
MethodsX-ray diffraction
Resolution1.65 - 2.08 Å
Structure data

PDB-2a9w:
E. coli TS complexed with dUMP and inhibitor GA9
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-2aaz:
Cryptococcus neoformans thymidylate synthase complexed with substrate and an antifolate
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-UMP:
2'-DEOXYURIDINE 5'-MONOPHOSPHATE

ChemComp-GA9:
3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-1-ONE

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-GOL:
GLYCEROL

ChemComp-2BR:
2-BROMOPHENOL

ChemComp-HOH:
WATER

ChemComp-CB3:
10-PROPARGYL-5,8-DIDEAZAFOLIC ACID

Source
  • escherichia coli (E. coli)
  • filobasidiella neoformans (Cryptococcus neoformans serotype A)
KeywordsTRANSFERASE / protein-inhibitor complex / Methyl transferase / Nucleotide biosynthesis

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