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Sensitive NMR Approach for Determining the Binding Mode of Tightly Binding Ligand Molecules to Protein Targets

Chen, Wan-Na; Nitsche, Christoph; Pilla, Kala Bharath; Graham, Bim; Klein, Christian D; Otting, Gottfried; Huber, Thomas


Structure-guided drug design relies on detailed structural knowledge of protein-ligand complexes, but crystallization of cocomplexes is not always possible. Here we present a sensitive nuclear magnetic resonance (NMR) approach to determine the binding mode of tightly binding lead compounds in complex with difficult target proteins. In contrast to established NMR methods, it does not depend on rapid exchange between bound and free ligand or on stable isotope labeling, relying instead on a...[Show more]

CollectionsANU Research Publications
Date published: 2016-04-06
Type: Journal article
Source: Journal of the American Chemical Society
DOI: 10.1021/jacs.6b00416


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