2026-10-31_00000021|ligand|15AJ

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000572; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DU3

InChI=1S/C16H15BrN4O2/c17-11-3-1-10(2-4-11)13(5-6-22)21-16(23)12-7-18-8-14-15(12)20-9-19-14/h1-4,7-9,13,22H,5-6H2,(H,19,20)(H,21,23)/t13-/m0/s1

c1cc(ccc1[C@H](CCO)NC(=O)c2cncc3c2[nH]cn3)Br
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Reference