2025-06-07_00000289|ligand|9GUB

SARS-CoV-2 Mac1 in complex with MCD-628; X-ray diffraction 1.10Å
Protein #1 171 residues (98% resolved)

SMEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

SMEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2 A1IO2

InChI=1S/C17H15N5O2/c23-17(24)14(7-10-8-19-13-4-2-1-3-11(10)13)22-16-12-5-6-18-15(12)20-9-21-16/h1-6,8-9,14,19H,7H2,(H,23,24)(H2,18,20,21,22)/t14-/m1/s1

c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)Nc3c4cc[nH]c4ncn3
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Reference