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TitleThienopyrimidine Bisphosphonate (ThPBP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase: Optimization and Characterization of the Mode of Inhibition.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 7939-7950, Year 2013
Publish dateMar 25, 2013 (structure data deposition date)
AuthorsLeung, C.Y. / Park, J. / De Schutter, J.W. / Sebag, M. / Berghuis, A.M. / Tsantrizos, Y.S.
External linksJ. Med. Chem. / PubMed:23998921
MethodsX-ray diffraction
Resolution2.55 - 2.8 Å
Structure data

PDB-4jvj:
Crystal structure of human FPPS in complex with magnesium, CL01131, and sulfate
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-4l2x:
Crystal structure of human FPPS in complex with magnesium, CL02134, and inorganic pyrophosphate
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

Chemicals

ChemComp-1MV:
({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid)

ChemComp-SO4:
SULFATE ION

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-YL2:
({[6-(4-cyclopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid)

ChemComp-POP:
PYROPHOSPHATE 2-

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE-TRANSFERASE INHIBITOR complex

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