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. 2019 Jan 29;9:825. doi: 10.1038/s41598-018-36069-w

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© The Author(s) 2019

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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Inhibitor 1 and UNC10201652 chemotypes within the EcGUS and CpGUS active sites. (a) Overlay of EcGUS and CpGUS containing the Inhibitor 1 chemotype docked into the active site. Loop 1 structures are not shown. (b) Overlay of EcGUS and CpGUS containing UNC10201652 docked into the active site. Loop 1 structures are not shown. (c) EcGUS loop 1 region with Inhibitor 1 docked into the active site. (d) EcGUS loop 1 region with UNC10201652 docked into the active site. (e) CpGUS loop 1 region with Inhibitor 1 docked into the active site. (f) CpGUS loop 1 region with UNC10201652 in the active site. Loop 1 structures are indicated by arrows. Grey loops are from the adjacent monomer.