Figure 1.

The co-crystal structure of the C. albicans Hsp90 NBD with CMLD013075 displays unique structural rearrangements. A, chemical structures of radicicol (top) and fungal-selective semisynthetic compound CMLD013075 (bottom). B, superposition of the structures of C. albicans Hsp90 NBD in complex with radicicol (tan; PDB entry 6CJL) and CMLD013075 (blue; PDB entry 6CJP). The CMLD013075 ligand is shown in a stick representation, with the carbon atoms of the methoxybenzyl ring in darker blue. The ligand in the radicicol complex occupies a similar site as the lactone ring in the CMLD013075 complex but is not included here for clarity.