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. 2013 Jul 31;8(7):e68271. doi: 10.1371/journal.pone.0068271

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© 2013 Hwang et al

This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly credited.

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The metal ions and key residues of the representative Shh structure of (a) the Shh-PL2 (slashdot green) and (b) the Shh-robotnikinin (gold). The zinc and calcium ions are marked by blue-gray and green spheres, and the key residues are represented by stick model. Chemical features are color coded as follows: HBA, green; HBD, magenta; HYP, cyan. Selected chemical features based on the representative Shh structure generated from (c) the Shh-PL2 and (d) Shh-robotnikinin. Completed pharmacophore models of (e) the Shh-PL2 and (f) Shh-robotnikinin.