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Structure paper

TitleInhibitors of the Kinase Ispe: Structure-Activity Relationships and Co-Crystal Structure Analysis.
Journal, issue, pagesOrg. Biomol. Chem., Vol. 6, Page 2719-, Year 2008
Publish dateOct 30, 2007 (structure data deposition date)
AuthorsHirsch, A.K. / Alphey, M.S. / Lauw, S. / Seet, M. / Barandun, L. / Eisenreich, W. / Rohdich, F. / Hunter, W.N. / Bacher, A. / Diederich, F.
External linksOrg. Biomol. Chem. / PubMed:18633530
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-2vf3:
Aquifex aeolicus IspE in complex with ligand
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-GVS:
ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]prop-1-yn-1-yl}-2-oxopyrimidin-1(2H)-yl]oxetan-3-yl}acetate

ChemComp-POP:
PYROPHOSPHATE 2-

ChemComp-CL:
Unknown entry

ChemComp-BR:
BROMIDE ION

ChemComp-HOH:
WATER

Source
  • aquifex aeolicus (bacteria)
KeywordsTRANSFERASE / ISPE / KINASE / AQUIFEX / ATP-BINDING / ISOPRENE BIOSYNTHESIS / NON-MEVALONATE / NUCLEOTIDE-BINDING

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