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. 2017 Aug 8;7:7501. doi: 10.1038/s41598-017-07755-y

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© The Author(s) 2017

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Ligand-induced, P-loop-folded conformation in active VRKs. (a,c) Cartoon and (b,d) surface representations of the P-loop region in VRK1_3-364/GW297361X co-crystal. Dashed line in panel a indicates a sulfur-π interaction between the sulfur atom in the thiazole ring from the ligand and P-loop residue Phe48. Dashed line in panel d indicates a cavity between αC and P-loop exclusive to VRK1. (e,g) Cartoon and (f,h) surface representations of the P-loop region in VRK2_14–335/BI-D1870. Views in (a,b and e,f) are rotated ~90° from those in (c,d and g,h) respectively.