2025-07-26_00000085|ligand|9G6A

Peptide-Small Molecule Hybrids as Novel Selective Irreversible Cathepsin-K Inhibitors in Primary Osteoclasts and Human Lung Cancer Tissue; X-ray diffraction 1.99Å
Protein #1 216 residues (100% resolved)

AAPDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM

AAPDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM
Non polymer #2 A1IJC

InChI=1S/C24H29F3N2O4S/c1-15(2)13-21(23(31)28-14-16(3)30)29-22(24(25,26)27)19-7-5-17(6-8-19)18-9-11-20(12-10-18)34(4,32)33/h5-12,15,21-22,29H,13-14H2,1-4H3,(H,28,31)/t21-,22-/m0/s1

CC(C)C[C@@H](C(=O)NCC(=O)C)N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)C)C(F)(F)F
Non polymer #3 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #4 PGE

InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

C(COCCOCCO)O
Download coordinates
Reference