In:
Angewandte Chemie, Wiley, Vol. 129, No. 19 ( 2017-05-02), p. 5292-5295
Abstract:
In early drug discovery approaches, screening hits are often weak affinity binders that are difficult to characterize in structural detail, particularly towards obtaining the 3D structure of protein–ligand complexes at atomic resolution. NMR is the outstanding technique to tackle such problems, yet suffers from a tedious structure calculation process. N MR 2 was recently developed to alleviate the laborious element of routine NMR structure calculation procedures and provides the structural information at protein–ligand interaction sites orders of magnitude faster than standard procedures. The N MR 2 method was extended to weak binders and applied to the oncoproteins HDM2 and MDMX. The structure of the MDMX‐SJ212 complex is reported with a K d of approximately 0.7 μ m ; the complex structure of HDM2 with the m m affinity ligand #845 exhibits a new scaffold.
Type of Medium:
Online Resource
ISSN:
0044-8249
,
1521-3757
DOI:
10.1002/ange.v129.19
DOI:
10.1002/ange.201612304
Language:
English
Publisher:
Wiley
Publication Date:
2017
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