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Structure determination of protein-ligand complexes by transferred paramagnetic shifts

John, Michael; Pintacuda, Guido; Park, Ah Young; Dixon, Nicholas; Otting, Gottfried


Rational drug design depends on the knowledge of the three-dimensional (3D) structure of complexes between proteins and lead compounds of low molecular weight. A novel nuclear magnetic resonance (NMR) spectroscopy strategy based on the paramagnetic effects from lanthanide ions allows the rapid determination of the 3D structure of a small ligand molecule bound to its protein target in solution and, simultaneously, its location and orientation with respect to the protein. The method relies on the...[Show more]

CollectionsANU Research Publications
Date published: 2006
Type: Journal article
Source: Journal of the American Chemical Society
DOI: 10.1021/ja063584z


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