2026-10-31_00000103|ligand|15DN

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004109; X-ray diffraction 1.01Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PSS

InChI=1S/C20H26N6O2/c1-4-21-19(27)24-13-8-5-7-12-15-17(25-16(12)13)22-11-23-18(15)26-10-6-9-14(26)20(2,3)28/h5,7-8,11,14,28H,4,6,9-10H2,1-3H3,(H2,21,24,27)(H,22,23,25)/t14-/m1/s1

CCNC(=O)Nc1cccc2c1[nH]c3c2c(ncn3)N4CCC[C@@H]4C(C)(C)O
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Reference