2026-01-17_00000233|ligand|9N21

Crystal structure of XIAP-BIR3 with ALP1 series SMAC mimetic ligand; X-ray diffraction 2.74Å
Protein #1 110 residues (94% resolved)

GSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVR

GSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVR
Non polymer #2 A1BVB

InChI=1S/C14H14N4OS/c1-10(15-2)14(19)18-13-5-3-4-11(17-13)6-7-12-8-16-9-20-12/h3-5,8-10,15H,1-2H3,(H,17,18,19)/t10-/m0/s1

C[C@@H](C(=O)Nc1cccc(n1)C#Cc2cncs2)NC
Non polymer #3 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference