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3D atomic-level structures of NAKs BIKE [Protein Data Bank (PDB) ID 4w9x], AAK1 (PDB ID 4wsq), and GAK (PDB ID 4y8d) were compared at the level of amino acid sequence and 3D structure (figs. S1 and S2). Superposition computational docking using the experimental structure of the BIKE-baricitinib protein:drug complex (PDB ID 4w9x) was used to investigate the modes of binding of baricitinib to both AAK1 and GAK (fig. S2). Figures were generated using UCSF Chimera (55).
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