fig2

Figure 2. Reversible nitrile warhead-containing inhibitors of cathepsin C. (A) Chemical structure of compounds AZD5258 developed by AstraZeneca; (B) Crystal structure of AZDB5248 bound into the active site of cathepsin C. (PDB accession code 4CDE); (C) Chemical structure of the IcatC_XPZ-01 analog used for crystallization; (D) Crystal structure of IcatC_XPZ-01 analog bound into the active site of cathepsin C (PDB accession code 6IC6). Chemical structures were drawn with ChemDraw software. The crystal structures in panels B and D were drawn with UCSF Chimera software^[113].