2025-06-14_00000160
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ligand
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9HRT
Structure of human PD-L1 in complex with clinically evaluated inhibitor;
X-ray diffraction 2.30Å
Protein #1
131 residues (96% resolved)
Raw Sequence ...
MGSAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYAAALEHHHHHH
Canonical Sequence ...
MGSAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYAAALEHHHHHH
Non polymer #2
A1IXH
InChI=1S/C29H28F3NO5/c1-18-20(4-3-5-23(18)21-9-11-25-26(15-21)38-13-12-37-25)7-8-22-14-19(6-10-24(22)29(30,31)32)16-33-28(2,17-34)27(35)36/h3-11,14-15,33-34H,12-13,16-17H2,1-2H3,(H,35,36)/b8-7+/t28-/m1/s1
InChI=1S/C29H28F3NO5/c1-18-20(4-3-5-23(18)21-9-11-25-26(15-21)38-13-12-37-25)7-8-22-14-19(6-10-24(22)29(30,31)32)16-33-28(2,17-34)27(35)36/h3-11,14-15,33-34H,12-13,16-17H2,1-2H3,(H,35,36)/b8-7+/t28-/m1/s1
SMILES: Cc1c(cccc1c2ccc3c(c2)OCCO3)/C=C/c4cc(ccc4C(F)(F)F)CN[C@](C)(CO)C(=O)O
Cc1c(cccc1c2ccc3c(c2)OCCO3)/C=C/c4cc(ccc4C(F)(F)F)CN[C@](C)(CO)C(=O)O
Biounit #1
homo-dimer
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Model
Reference
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