2025-06-14_00000161
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ligand
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9I0U
Structure of human PD-L1 in complex with clinically evaluated inhibitor;
X-ray diffraction 1.46Å
Protein #1
131 residues (96% resolved)
Raw Sequence ...
MGSAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYAAALEHHHHHH
Canonical Sequence ...
MGSAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYAAALEHHHHHH
Non polymer #2
A1IZJ
InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-13-19-9-11-29(45)41-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-38-14-20-10-12-30(46)42-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,45)(H,42,46)/t19-,20-/m0/s1
InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-13-19-9-11-29(45)41-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-38-14-20-10-12-30(46)42-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,45)(H,42,46)/t19-,20-/m0/s1
SMILES: COc1c(ncc(n1)c2cccc(c2Cl)c3cccc(c3Cl)c4cnc(c(n4)OC)CNC[C@@H]5CCC(=O)N5)CNC[C@@H]6CCC(=O)N6
COc1c(ncc(n1)c2cccc(c2Cl)c3cccc(c3Cl)c4cnc(c(n4)OC)CNC[C@@H]5CCC(=O)N5)CNC[C@@H]6CCC(=O)N6
Biounit #1
homo-dimer
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Model
Reference
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