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TitleMultistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 5764-5776, Year 2014
Publish dateJul 16, 2013 (structure data deposition date)
AuthorsDe Schutter, J.W. / Park, J. / Leung, C.Y. / Gormley, P. / Lin, Y.S. / Hu, Z. / Berghuis, A.M. / Poirier, J. / Tsantrizos, Y.S.
External linksJ. Med. Chem. / PubMed:24911527
MethodsX-ray diffraction
Resolution2.3 - 2.35 Å
Structure data

PDB-4lpg:
Crystal structure of human FPPS in complex with CL01131
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-4lph:
Crystal structure of human FPPS in complex with CL03093
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

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

ChemComp-HOH:
WATER

ChemComp-YL3:
({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid

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

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