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. 2020 Mar 11;63(7):3701–3712. doi: 10.1021/acs.jmedchem.0c00012

Figure 3.

Figure 3

Crystal structure of hPXR–garcinoic acid complex. (A) Overview of hPXR LBD–garcinoic acid complex. (B) 2.3 Å resolution X-ray diffraction data of crystals demonstrated that GA (gray) binds in a single orientation within the ligand binding pocket of hPXR, contacted by four amino acid side chains (cyan) and one main-chain region (M246–S247; cyan). Distances noted are in angstroms.