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. 2019 Jul 5;5(7):eaaw4607. doi: 10.1126/sciadv.aaw4607

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Copyright © 2019 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).

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Fig. 6 — (A) Screening of the boronic acid library by a colorimetric enzyme assay. (B) Median inhibitory concentration (IC₅₀) of compound 18a. (C and D) Modeling of compound 18a into MptpB [Protein Data Bank (PDB) ID: 2OZ5], where it forms a covalent adduct with active-site cysteine. Van der Waals interactions, hydrogen bonding, and cation-π interactions are indicated by yellow, red, and blue dotted lines, respectively.