Co-Crystalization and In Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3-Thiadiazole Hsp90 Inhibitors
Figure 2
PyMOL diagram showing binding interactions with Hsp90.
(A) Interactions of ICPD 34 and (B) ICPD 47 with the N-terminal domain of human Hsp90α. Dotted blue lines represent hydrogen bonds and the amino-acid residues involved are in green; cyan-colored spheres represent water molecules and cyan residues are amino acids solely in van der Waals contact. The structures for ICPD 34, and ICPD 47 were obtained at 2.5, and 1.4 Å resolution, respectively. ICPD 26, which lacks a 3-methoxy group relative to ICPD 34, binds in essentially the same manor as ICPD 34 and ICPD 47. For atomic coordinates and structure factors, see PDB codes 2YI0 (ICPD 26), 2YI5 (ICPD 34), and 2YI7 (ICPD 47).