2025-06-14_00000275|ligand|9OG8

Crystal structure of WRN in complex with compound 43; X-ray diffraction 1.66Å
Protein #1 424 residues (100% resolved)

SGSDFLWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHSVLEERRDNVAVMATGYGKSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFLGSAQSENVLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISEWGHDFRDSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFDRPNLYLEVRRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVTGELRKLNLSCGTYHAGMSFSTRKDIHHRFVRDEIQCVIATIAFGMGINKADIRQVIHYGAPKDMESYYQEIGRAGRDGLQSSCHVLWAPADINLNRHLLTEIRNEKFRLYKLKMMAKMEKYLHSSRCRRQIILSHFEDKQVQKASLGIMGTEKCCDNCRSRLDHC

SGSDFLWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHSVLEERRDNVAVMATGYGKSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFLGSAQSENVLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISEWGHDFRDSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFDRPNLYLEVRRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVTGELRKLNLSCGTYHAGMSFSTRKDIHHRFVRDEIQCVIATIAFGMGINKADIRQVIHYGAPKDMESYYQEIGRAGRDGLQSSCHVLWAPADINLNRHLLTEIRNEKFRLYKLKMMAKMEKYLHSSRCRRQIILSHFEDKQVQKASLGIMGTEKCCDNCRSRLDHC
Non polymer #2 A1CA5

InChI=1S/C37H50FN7O7S/c1-4-53(51,52)43-26-12-13-30-32(21-26)45(37(50)42-30)17-15-33(46)40-29-14-16-44(34(47)20-25-11-10-23(2)18-28(25)38)22-27(29)35(48)41-31(36(49)39-3)19-24-8-6-5-7-9-24/h10-13,18,21,24,27,29,31,43H,4-9,14-17,19-20,22H2,1-3H3,(H,39,49)(H,40,46)(H,41,48)(H,42,50)/t27-,29+,31-/m1/s1

CCS(=O)(=O)Nc1ccc2c(c1)N(C(=O)N2)CCC(=O)N[C@H]3CCN(C[C@H]3C(=O)N[C@H](CC4CCCCC4)C(=O)NC)C(=O)Cc5ccc(cc5F)C
Non polymer #3 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference