Fig. 2
From: Structure-guided design of an Hsp90β N-terminal isoform-selective inhibitor
Proposed binding modes and co-crystal structures of Hsp90β-selective molecules. a A new scaffold for Hsp90β-selective inhibition. b Overlay of 2 docked into Hsp90α (PDB code 1UYM, colored green) with Hsp90β (PDB code: 2XAB). c Co-crystal structure of 2 bound to Hsp90β. d Compound 2 in 2-D binding mode. Movement of Asn46 allows for backward bending of nitrile; the previous position of Asn46 is represented in pink. Asn46 in co-crystal structure of 2 is represented in blue
