2026-10-31_00000113|ligand|15DX

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004225; X-ray diffraction 0.96Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DWV

InChI=1S/C21H23FN4O2/c1-14(2)18(11-27)26-21-19-15(10-23-20(19)24-13-25-21)7-5-9-28-12-16-6-3-4-8-17(16)22/h3-4,6,8,10,13-14,18,27H,9,11-12H2,1-2H3,(H2,23,24,25,26)/t18-/m0/s1

CC(C)[C@H](CO)Nc1c2c(c[nH]c2ncn1)C#CCOCc3ccccc3F
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Reference