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. 2018 Feb;145(2):210–218. doi: 10.1017/S0031182017001901

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© Cambridge University Press 2017

This is an Open Access article, distributed under the terms of the Creative Commons Attribution licence (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted re-use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Fig. 3. — Close-up of BKIs bound to TgCDPK1 in the ATP binding site. The gatekeeper residue Gly128 is depicted in magenta, key hydrophobic residue of the binding site are labelled and shown in grey (a) 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine shown in ball-and-stick representation (PDB: 3i7b), (b) chemical structure of the ligand, (c) 1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (PDB:3i7c) (Ojo et al. 2010) and (d) chemical structure of the ligand. ATP, adenosine triphosphate; CDPKs, calcium-dependent protein kinases.