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Int. J. Mol. Sci. 2019, 20(1), 139;

Applications of In-Cell NMR in Structural Biology and Drug Discovery

Experimental Therapeutics Centre, Agency for Science, Technology and Research (A*STAR), 31 Biopolis way, Nanos, #03-01, Singapore 138669, Singapore
Received: 26 November 2018 / Revised: 24 December 2018 / Accepted: 29 December 2018 / Published: 2 January 2019
(This article belongs to the Special Issue In-Cell NMR Spectroscopy: Biomolecular Structure and Function)
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In-cell nuclear magnetic resonance (NMR) is a method to provide the structural information of a target at an atomic level under physiological conditions and a full view of the conformational changes of a protein caused by ligand binding, post-translational modifications or protein–protein interactions in living cells. Previous in-cell NMR studies have focused on proteins that were overexpressed in bacterial cells and isotopically labeled proteins injected into oocytes of Xenopus laevis or delivered into human cells. Applications of in-cell NMR in probing protein modifications, conformational changes and ligand bindings have been carried out in mammalian cells by monitoring isotopically labeled proteins overexpressed in living cells. The available protocols and successful examples encourage wide applications of this technique in different fields such as drug discovery. Despite the challenges in this method, progress has been made in recent years. In this review, applications of in-cell NMR are summarized. The successful applications of this method in mammalian and bacterial cells make it feasible to play important roles in drug discovery, especially in the step of target engagement. View Full-Text
Keywords: in-cell NMR; protein structure; protein dynamics; drug discovery; target engagement; protein modification in-cell NMR; protein structure; protein dynamics; drug discovery; target engagement; protein modification

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Kang, C. Applications of In-Cell NMR in Structural Biology and Drug Discovery. Int. J. Mol. Sci. 2019, 20, 139.

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