2026-09-12_00000029|ligand|14AM

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8207599372; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DBL

InChI=1S/C18H19ClN4O2/c1-10(2)16(11-3-4-13-14(7-11)25-6-5-24-13)23-18-15-12(19)8-20-17(15)21-9-22-18/h3-4,7-10,16H,5-6H2,1-2H3,(H2,20,21,22,23)/t16-/m0/s1

CC(C)[C@@H](c1ccc2c(c1)OCCO2)Nc3c4c(c[nH]c4ncn3)Cl
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Reference