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. 2020 Dec 14;11:6387. doi: 10.1038/s41467-020-19974-5

Fig. 2. Crystal structures of IRE1 RNase activators G-9807 and G-1749, and inhibitor AMG-18 in complex with unphosphorylated IRE1.

Fig. 2

a Overall alignment of B2B IRE1 dimers for each crystal structure shown as ribbons in colors as indicated by legend. Ligands are shown as spheres. Phosphorylated serine residues in the IRE1-3P structure are shown as sticks and spheres. b Top, C-helix conformation for all determined structures. Bottom, details of B2B dimer interface mediated by the C-terminus of the C-helix for IRE1 apo 3P and AMG-18/IRE1-0P structures. Protein shown as cartoon, with key residues and ligands shown as sticks. Colors as in legend. c Details of compound interactions in the ATP-binding pocket. Protein is shown as cartoon with key residues shown as sticks. Ligands shown as sticks.