2026-10-31_00000166|ligand|15FY

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004825; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D1U

InChI=1S/C14H21N3O4S/c1-9(10(2)22(4,20)21)16-13(18)11-5-7-12(8-6-11)17-14(19)15-3/h5-10H,1-4H3,(H,16,18)(H2,15,17,19)/t9-,10+/m1/s1

C[C@H]([C@H](C)S(=O)(=O)C)NC(=O)c1ccc(cc1)NC(=O)NC
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Reference