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Structure paper

TitleCytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 8, Page e53851-e53851, Year 2013
Publish dateOct 23, 2009 (structure data deposition date)
AuthorsZhang, Z. / Jakkaraju, S. / Blain, J. / Gogol, K. / Zhao, L. / Hartley, R.C. / Karlsson, C.A. / Staker, B.L. / Edwards, T.E. / Stewart, L.J. ...Zhang, Z. / Jakkaraju, S. / Blain, J. / Gogol, K. / Zhao, L. / Hartley, R.C. / Karlsson, C.A. / Staker, B.L. / Edwards, T.E. / Stewart, L.J. / Myler, P.J. / Clare, M. / Begley, D.W. / Horn, J.R. / Hagen, T.J.
External linksBioorg. Med. Chem. Lett. / PubMed:24157367
MethodsX-ray diffraction
Resolution1.75 - 2.05 Å
Structure data

PDB-3ke1:
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei in complex with a fragment-nucleoside fusion D000161829
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-3q8h:
Crystal structure of 2c-methyl-d-erythritol 2,4-cyclodiphosphate synthase from burkholderia pseudomallei in complex with cytidine derivative EBSI01028
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-829:
5'-deoxy-5'-[(pyridin-4-ylcarbonyl)amino]cytidine

ChemComp-K:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-AO9:
5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • burkholderia pseudomallei (bacteria)
KeywordsLYASE / NIAID / SSGCID / Seattle Structural Genomics Center for Infectious Disease / fragment crystallography / FBDD / fragment-based drug-design / nucleoside analog / D000161829 / Isoprene biosynthesis / Metal-binding / ISPF / MEP PATHWAY

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