2026-06-06_00000325|ligand|9ZJ8

Crystal structure of MERS 3CL protease in complex with inhibitor AMJ-II-72; X-ray diffraction 2.10Å
Protein #1 313 residues (98% resolved)

MHHHHHHSGLVKMSHPSGDVEACMVQVTCGSMTLNGLWLDNTVWCPRHVMCPADQLSDPNYDALLISMTNHSFSVQKHIGAPANLRVVGHAMQGTLLKLTVDVANPSTPAYTFTTVKPGAAFSVLACYNGRPTGTFTVVMRPNYTIKGSFLCGSCGSVGYTKEGSVINFCYMHQMELANGTHTGSAFDGTMYGAFMDKQVHQVQLTDKYCSVNVVAWLYAAILNGCAWFVKPNRTSVVSFNEWALANQFTEFVGTQSVDMLAVKTGVAIEQLLYAIQQLYTGFQGKQILGSTMLEDEFTPEDVNMQIMGVVMQ

MHHHHHHSGLVKMSHPSGDVEACMVQVTCGSMTLNGLWLDNTVWCPRHVMCPADQLSDPNYDALLISMTNHSFSVQKHIGAPANLRVVGHAMQGTLLKLTVDVANPSTPAYTFTTVKPGAAFSVLACYNGRPTGTFTVVMRPNYTIKGSFLCGSCGSVGYTKEGSVINFCYMHQMELANGTHTGSAFDGTMYGAFMDKQVHQVQLTDKYCSVNVVAWLYAAILNGCAWFVKPNRTSVVSFNEWALANQFTEFVGTQSVDMLAVKTGVAIEQLLYAIQQLYTGFQGKQILGSTMLEDEFTPEDVNMQIMGVVMQ
Non polymer #2 A1C2N

InChI=1S/C28H42FN4O8P/c1-18(2)11-25(27(36)31-23(14-34)12-21-9-10-30-26(21)35)32-28(37)39-16-24-17-41-42(38,33(24)13-19(3)4)40-15-20-5-7-22(29)8-6-20/h5-8,14,18-19,21,23-25H,9-13,15-17H2,1-4H3,(H,30,35)(H,31,36)(H,32,37)/t21-,23-,24+,25-,42-/m0/s1

CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)OC[C@@H]2CO[P@](=O)(N2CC(C)C)OCc3ccc(cc3)F
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Reference