2025-06-28_00000135
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ligand
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9IJT
Crystal Structure of human Programmed cell death 1 ligand 1 (PD-L1) bound to Small molecule inhibitor Compound-10;
X-ray diffraction 2.05Å
Protein #1
129 residues (99% resolved)
Raw Sequence ...
MAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKTQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYAAALEHHHHHH
Canonical Sequence ...
MAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKTQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYAAALEHHHHHH
Non polymer #2
A1L2P
InChI=1S/C26H29N3O4/c1-18-20(11-8-12-22(18)19-9-4-3-5-10-19)17-33-26-27-15-21(24(28-26)32-2)16-29-14-7-6-13-23(29)25(30)31/h3-5,8-12,15,23H,6-7,13-14,16-17H2,1-2H3,(H,30,31)/t23-/m0/s1
InChI=1S/C26H29N3O4/c1-18-20(11-8-12-22(18)19-9-4-3-5-10-19)17-33-26-27-15-21(24(28-26)32-2)16-29-14-7-6-13-23(29)25(30)31/h3-5,8-12,15,23H,6-7,13-14,16-17H2,1-2H3,(H,30,31)/t23-/m0/s1
SMILES: Cc1c(cccc1c2ccccc2)COc3ncc(c(n3)OC)CN4CCCC[C@H]4C(=O)O
Cc1c(cccc1c2ccccc2)COc3ncc(c(n3)OC)CN4CCCC[C@H]4C(=O)O
Biounit #1
homo-tetramer
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Model
Reference
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