2024-03-02_00000184
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ligand
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8P64
Co-crystal structure of PD-L1 with low molecular weight inhibitor;
X-ray diffraction 3.31Å
Protein #1
131 residues (90% resolved)
Raw Sequence ...
MGSAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYAAALEHHHHHH
Canonical Sequence ...
MGSAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYAAALEHHHHHH
Non polymer #2
X1Q
InChI=1S/C19H21N5/c1-3-20-14-19-21-22-23-24(19)13-12-16-10-7-11-18(15(16)2)17-8-5-4-6-9-17/h4-13,20H,3,14H2,1-2H3/b13-12+
InChI=1S/C19H21N5/c1-3-20-14-19-21-22-23-24(19)13-12-16-10-7-11-18(15(16)2)17-8-5-4-6-9-17/h4-13,20H,3,14H2,1-2H3/b13-12+
SMILES: CCNCc1nnnn1/C=C/c2cccc(c2C)c3ccccc3
CCNCc1nnnn1/C=C/c2cccc(c2C)c3ccccc3
Biounit #1
homo-dimer
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Model
Reference
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