2025-11-08_00000049
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ligand
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9E8V
Complex fibril structure of MSA alpha-synuclein with CNS-11g at 4 hours;
Electron microscopy 3.00Å
Protein #1
140 residues (60% resolved)
Raw Sequence ...
MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA
Canonical Sequence ...
MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA
Non polymer #2
A1BGB
InChI=1S/C25H23N3O2/c1-17-9-8-10-18(2)24(17)26-23(29)16-28-25(30)21-14-7-6-13-20(21)22(27-28)15-19-11-4-3-5-12-19/h3-14H,15-16H2,1-2H3,(H,26,29)
InChI=1S/C25H23N3O2/c1-17-9-8-10-18(2)24(17)26-23(29)16-28-25(30)21-14-7-6-13-20(21)22(27-28)15-19-11-4-3-5-12-19/h3-14H,15-16H2,1-2H3,(H,26,29)
SMILES: Cc1cccc(c1NC(=O)CN2C(=O)c3ccccc3C(=N2)Cc4ccccc4)C
Cc1cccc(c1NC(=O)CN2C(=O)c3ccccc3C(=N2)Cc4ccccc4)C
Biounit #1
homo-10-mer
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Model
Reference
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