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. 2018 Sep 26;9:3934. doi: 10.1038/s41467-018-06113-4

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© The Author(s) 2018

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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Fig. 5 — CA45 defines an inhibitor-binding cavity on GP as a site of immune vulnerability. a The CA45 HCDR3 loop (purple) inserts into the DFF inhibitor-binding cavity located beneath strand β19–β20 of the fusion loop stem (blue). GP1 is colored green, GP2 orange, and fusion loop (FL) blue. Cartoon representation of front of cavity with apical residues of HCDR3 shown (left) and rotated with a more extensive view of HCDR3 (right). b Cross-sectional view of right panel in a, with GP shown in surface representation to reveal DFF cavity. c Superposition of unliganded GP (gray; PDB ID 5JQ3) onto CA45-bound GP (representations in left and right panels are as described in a). Residues of the “DFF lid” of unliganded GP1 are shown in yellow, with residues F193 and F194 shown in stick representation. d Cross-sectional view of right panel in c, with GP shown in surface representation. e Superposition of toremifene- and ibuprofen-bound GP structures (gray; PDB IDs 5JQ7 and 5JQB, respectively) onto CA45-bound GP structure, with toremifene (TOR) shown in pale cyan and ibuprofen (IBP) shown in salmon (representations in left and right panels are as described in a). f Cross-sectional view of right panel in e, with GP shown in surface representation