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Structure paper

TitleInhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
Journal, issue, pagesJ. Med. Chem., Vol. 51, Page 5594-5607, Year 2008
Publish dateJun 26, 2007 (structure data deposition date)
AuthorsChen, C.K.-M. / Hudock, M.P. / Zhang, Y. / Guo, R.-T. / Cao, R. / No, J.H. / Liang, P.-H. / Ko, T.-P. / Chang, T.-H. / Chang, S.-C. ...Chen, C.K.-M. / Hudock, M.P. / Zhang, Y. / Guo, R.-T. / Cao, R. / No, J.H. / Liang, P.-H. / Ko, T.-P. / Chang, T.-H. / Chang, S.-C. / Song, Y. / Axelson, J. / Kumar, A. / Wang, A.H.-J. / Oldfield, E.
External linksJ. Med. Chem. / PubMed:18800762
MethodsX-ray diffraction
Resolution1.86 - 2.45 Å
Structure data

PDB-2z4v:
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and GGPP (inhibitory site)
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

PDB-2z4w:
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-749
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-2z4x:
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252 (P21)
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2z4y:
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2z4z:
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-sc01
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

PDB-2z50:
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-28
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

PDB-2z52:
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-23
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

PDB-2z78:
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-806
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2z7i:
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor BPH-742
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-GRG:
GERANYLGERANYL DIPHOSPHATE

ChemComp-HOH:
WATER

ChemComp-749:
[(6E,11E)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid)

ChemComp-252:
(1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID)

ChemComp-SC0:
(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID)

ChemComp-028:
(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID)

ChemComp-H23:
(1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOSPHONIC ACID)

ChemComp-H86:
3-(decyloxy)-5-(3,5-difluorophenyl)-1-(2,2-diphosphonoethyl)pyridinium

ChemComp-742:
(2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM

Source
  • saccharomyces cerevisiae (brewer's yeast)
KeywordsTRANSFERASE / prenyltransferase / geranylgeranyl pyrophosphate / bisphosphonate / TRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE-TRANSFERASE INHIBITOR complex / Carotenoid biosynthesis / Isoprene biosynthesis / Multifunctional enzyme / Protein transport / Transport

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