2025-12-20_00000284|ligand|9U7D

Crystal structure of SARS-CoV-2 papain-like protease (Cys111Ser) in complex with YL1004; X-ray diffraction 2.70Å
Protein #1 312 residues (98% resolved)

EVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTT

EVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNSYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTT
Non polymer #2 A1EOE

InChI=1S/C31H37N5O3/c1-35-12-13-36-21(18-35)19-39-29-17-26(32)24(16-28(29)36)30(37)34-31(10-11-31)25-6-7-27(23-5-3-2-4-22(23)25)33-20-8-14-38-15-9-20/h2-7,16-17,20-21,33H,8-15,18-19,32H2,1H3,(H,34,37)/t21-/m0/s1

CN1CCN2c3cc(c(cc3OC[C@@H]2C1)N)C(=O)NC4(CC4)c5ccc(c6c5cccc6)NC7CCOCC7
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #4 PEG

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

C(COCCO)O
Non polymer #5 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference