2025-09-13_00000016|ligand|7IJC

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8929428675; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1CJ8

InChI=1S/C15H13N5O3/c21-12(22)6-11(9-2-1-4-16-7-9)20-15(23)13-10-3-5-17-14(10)19-8-18-13/h1-5,7-8,11H,6H2,(H,20,23)(H,21,22)(H,17,18,19)/t11-/m0/s1

c1cc(cnc1)[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2
Non polymer #3 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

CS(=O)C
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Reference