2026-10-10_00000105|ligand|38HC

Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z9941018066; X-ray diffraction 1.12Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D0V

InChI=1S/C15H14N4O2S/c1-11-15(10-17-18-11)12-7-13(9-16-8-12)19-22(20,21)14-5-3-2-4-6-14/h2-10,19H,1H3,(H,17,18)

Cc1c(c[nH]n1)c2cc(cnc2)NS(=O)(=O)c3ccccc3
Non polymer #3 DMS

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

CS(=O)C
Non polymer #4 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
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Reference