2026-08-01_00000368|ligand|9W4P

Crystal Structure of SARS-CoV-2 Main Protease in Complex with a Broad-spectrum Inhibitor; X-ray diffraction 2.05Å
Protein #1 304 residues (100% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
Non polymer #2 A1EYZ

InChI=1S/C36H43N5O6/c1-47-27-13-10-22(11-14-27)18-30(40-34(44)29-15-12-23-6-2-4-8-28(23)39-29)36(46)41-31-9-5-3-7-24(31)20-32(41)35(45)38-26(21-42)19-25-16-17-37-33(25)43/h2,4,6,8,10-15,24-26,30-32,42H,3,5,7,9,16-21H2,1H3,(H,37,43)(H,38,45)(H,40,44)/t24-,25-,26-,30-,31-,32-/m0/s1

COc1ccc(cc1)C[C@@H](C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO)NC(=O)c5ccc6ccccc6n5
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Reference