2026-10-31_00000236|ligand|15IR

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005041; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D14

InChI=1S/C16H17N7O/c24-16(22-13-8-17-5-6-18-13)11-2-1-7-23(9-11)15-12-3-4-19-14(12)20-10-21-15/h3-6,8,10-11H,1-2,7,9H2,(H,18,22,24)(H,19,20,21)/t11-/m0/s1

c1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)C(=O)Nc4cnccn4
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Reference