2026-10-31_00000360|ligand|15NL

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005423; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DUF

InChI=1S/C14H14F2N4O3/c15-14(16)4-7(5-14)9(3-10(21)22)20-13(23)11-8-1-2-17-12(8)19-6-18-11/h1-2,6-7,9H,3-5H2,(H,20,23)(H,21,22)(H,17,18,19)/t9-/m1/s1

c1c[nH]c2c1c(ncn2)C(=O)N[C@H](CC(=O)O)C3CC(C3)(F)F
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Reference