2025-11-08_00000031|ligand|9CY0

Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-4206; X-ray diffraction 0.80Å
Protein #1 170 residues (99% resolved)

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2 A1A55

InChI=1S/C19H23N7O2/c1-4-20-18(28)23-12-7-5-6-11-14-16(24-15(11)12)21-10-22-17(14)25-26-13(27)8-9-19(26,2)3/h5-7,10H,4,8-9H2,1-3H3,(H2,20,23,28)(H2,21,22,24,25)

CCNC(=O)Nc1cccc2c1[nH]c3c2c(ncn3)NN4C(=O)CCC4(C)C
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Reference