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. 2020 May 19;11(24):6134–6148. doi: 10.1039/d0sc01935f

Fig. 1. (A) Kemp elimination of 5-nitrobenzisoxazole showing a proposed transition state structure. For comparison, shown here are also the structures of (B) tryptophan, (C) a transition-state analog and (D) indole. (E) 3D-structure of the background GNCA4-WT de novo enzyme (PDB ID: ; 5FQK,35 referred to throughout as GNCA4-WT), showing both the position of the bound transition analogue, as well as the key residues we targeted using FuncLib (shown as spheres). Panels (A–D) were originally published in ref. 35. Reproduced here with permission from ref. 35. Copyright 2017, the authors. Published under a CC-BY license (; http://creativecommons.org/licenses/by/4.0/).

Fig. 1