2026-10-31_00000331|ligand|15MI

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005331; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D30

InChI=1S/C12H22N4O2/c1-8(2)10(6-17)16-12-4-11(14-7-15-12)13-5-9(3)18/h4,7-10,17-18H,5-6H2,1-3H3,(H2,13,14,15,16)/t9-,10+/m1/s1

C[C@H](CNc1cc(ncn1)N[C@@H](CO)C(C)C)O
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
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Reference