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. 2017 Jun 12;7:3228. doi: 10.1038/s41598-017-03417-1

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© The Author(s) 2017

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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Validation of metal binding groups in HDAC. Structure of metal binding group for imidazole (A), diols (B), sulfonamids (C), phosphonates (D), hydroxamic acids (E), and carboxylic acids (F) located at top. The middle panel show structures of co-crystallized ligands with functional groups. The PDB ID of ligands are shown in blue. The small fragment docking docked in HDAC4 crystal structure is shown at the bottom. Grey sphere represents zinc ion.