2026-08-15_00000146|ligand|9T5E

Crystal structure of SARS-CoV-2 Mpro in complex with RK-468; X-ray diffraction 1.69Å
Protein #1 303 residues (100% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGV

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGV
Non polymer #2 A1JTR

InChI=1S/C30H38N4O5/c35-26(18-21-9-3-1-4-10-21)33-25-17-22-12-7-11-20(16-22)8-5-2-6-14-31-30(39)27(36)24(34-29(25)38)19-23-13-15-32-28(23)37/h1,3-4,7,9-12,16,23-25,27,36H,2,5-6,8,13-15,17-19H2,(H,31,39)(H,32,37)(H,33,35)(H,34,38)/t23-,24+,25+,27+/m0/s1

c1ccc(cc1)CC(=O)N[C@@H]2Cc3cccc(c3)CCCCCNC(=O)[C@@H]([C@H](NC2=O)C[C@@H]4CCNC4=O)O
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Reference