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. 2023 Sep 21;4(9):1345–1361. doi: 10.1038/s43018-023-00630-y

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© The Author(s) 2023, corrected publication 2023

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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Extended Data Fig. 2 — (a-b) The predicted model of vepafestinib in complex with wild-type RET (RET^WT) (blue) superposed with the crystal structure of TAS compound 1 in complex with RET^WT (yellow). Panel (b) is focused on the surroundings of the methoxymethylbenzyl group of vepafestinib. Yellow dotted lines indicate the hydrogen bonds. (c) Predicted models of vepafestinib in complex with RET solvent front mutants (G810A, C, D, R, and S) based on molecular docking simulations were drawn from the same view-point as panel (a).