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1H, 13C and 15N chemical shift referencing in biomolecular NMR
SummaryA considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for…
Human Platelet Dense Granules Contain Polyphosphate and Are Similar to Acidocalcisomes of Bacteria and Unicellular Eukaryotes*
- Felix A. Ruiz, Christopher R Lea, E. Oldfield, R. Docampo
- BiologyJournal of Biological Chemistry
- 22 October 2004
Inorganic polyphosphate (polyP) has been identified and measured in human platelets. Millimolar levels (in terms of Pi residues) of short chain polyP were found. The presence of polyP of ∼70–75…
A Cholesterol Biosynthesis Inhibitor Blocks Staphylococcus aureus Virulence
The crystal structures of S. aureus dehydrosqualene synthase are determined and this finding represents proof of principle for a virulence factor–based therapy against S.Aureus, resulting in colorless bacteria with increased susceptibility to killing by human blood and to innate immune clearance in a mouse infection model.
Molecular order and dynamics of phosphatidylcholine bilayer membranes in the presence of cholesterol, ergosterol and lanosterol: a comparative study using 2H-, 13C- and 31P-NMR spectroscopy.
Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
- R. Guo, R. Cao, A. H. Wang
- Biology, ChemistryProceedings of the National Academy of Sciences
- 12 June 2007
These results are of general interest because they provide the first structures of GGPPS- and UPPS-inhibitor complexes, potentially important drug targets, in addition to revealing a remarkably broad spectrum of binding modes not seen in FPPS inhibition.
Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
- Yonghui Zhang, R. Cao, E. Oldfield
- Biology, ChemistryJournal of the American Chemical Society
- 15 April 2009
How these compounds inhibit cell growth and how cell activity can be predicted based on enzyme inhibition data is explored, and using X-ray diffraction, solid state NMR, and isothermal titration calorimetry, it is shown how these compounds bind to FPPS and/or GGPPS.
Secondary and tertiary structural effects on protein NMR chemical shifts: an ab initio approach.
The ability to predict chemical shifts in proteins from known or test structures opens new avenues to structure refinement or determination, especially for condensed systems.
Reduced cell proliferation by IKK2 depletion in a mouse lung cancer model
A lentiviral-vector-mediated mouse model enables generation of non-small-cell lung cancer from less than 100 alveolar epithelial cells, and the role of IKK2 and NF-κB in lung-cancer development is investigated, suggesting the possible application of Ikk2 and Timp-1 inhibitors in treating lung cancer.
Diterpene cyclases and the nature of the isoprene fold
- R. Cao, Yonghui Zhang, E. Oldfield
- Chemistry, BiologyProteins: Structure, Function, and Bioinformatics
- 15 August 2010
Structural models based on bioinformatics, site‐directed mutagenesis, domain swapping, enzyme inhibition, and spectroscopy are proposed that help explain the nature of diterpene cyclase structure, function, and evolution.
Prediction of silicon-29 nuclear magnetic resonance chemical shifts using a group electronegativity approach: applications to silicate and aluminosilicate structures
Linear relations between group electronegativeity (EN) sums of ligands bonded to tetravalent silicon and silicon-29 nuclear magnetic resonance (NMR) chemical shift (Ssi) are shown to exist for both…