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TitleStructural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates.
Journal, issue, pagesActa Crystallogr. ,Sect. D, Vol. 70, Page 802-810, Year 2014
Publish dateApr 2, 2013 (structure data deposition date)
AuthorsAripirala, S. / Gonzalez-Pacanowska, D. / Oldfield, E. / Kaiser, M. / Amzel, L.M. / Gabelli, S.B.
External linksActa Crystallogr. ,Sect. D / PubMed:24598749
MethodsX-ray diffraction
Resolution1.8 - 2.3 Å
Structure data

PDB-4jzb:
Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)-3-PHENYLPYRIDINIUM, IPP and Ca2+
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4jzx:
Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 3-BUTYL-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, IPP and Ca2+
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4k10:
Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM and Mg2+
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-IPE:
3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE

ChemComp-P2H:
1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-476:
3-butyl-1-(2,2-diphosphonoethyl)pyridinium

ChemComp-MG:
Unknown entry

ChemComp-NI9:
3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-ACT:
ACETATE ION

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

Source
  • leishmania major (eukaryote)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Geranyl Transferase / FPPS / farnesyl pyrophosphate synthase / farnesyl diphosphate synthase / cytosolic / TRANSFERASE-TRANSFERASE INHIBITOR complex

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