2025-06-14_00000274|ligand|9OG3

Crystal structure of WRN in complex with compound 4; X-ray diffraction 2.06Å
Protein #1 424 residues (98% resolved)

SGSDFLWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHSVLEERRDNVAVMATGYGKSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFLGSAQSENVLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISEWGHDFRDSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFDRPNLYLEVRRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVTGELRKLNLSCGTYHAGMSFSTRKDIHHRFVRDEIQCVIATIAFGMGINKADIRQVIHYGAPKDMESYYQEIGRAGRDGLQSSCHVLWAPADINLNRHLLTEIRNEKFRLYKLKMMAKMEKYLHSSRCRRQIILSHFEDKQVQKASLGIMGTEKCCDNCRSRLDHC

SGSDFLWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHSVLEERRDNVAVMATGYGKSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFLGSAQSENVLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISEWGHDFRDSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFDRPNLYLEVRRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVTGELRKLNLSCGTYHAGMSFSTRKDIHHRFVRDEIQCVIATIAFGMGINKADIRQVIHYGAPKDMESYYQEIGRAGRDGLQSSCHVLWAPADINLNRHLLTEIRNEKFRLYKLKMMAKMEKYLHSSRCRRQIILSHFEDKQVQKASLGIMGTEKCCDNCRSRLDHC
Non polymer #2 A1CA4

InChI=1S/C36H47FN6O5/c1-23-13-14-25(27(37)19-23)21-33(45)42-17-15-28(38-32(44)16-18-43-31-12-8-7-11-29(31)40-36(43)48)26(22-42)34(46)39-30(35(47)41(2)3)20-24-9-5-4-6-10-24/h7-8,11-14,19,24,26,28,30H,4-6,9-10,15-18,20-22H2,1-3H3,(H,38,44)(H,39,46)(H,40,48)/t26-,28+,30-/m1/s1

Cc1ccc(c(c1)F)CC(=O)N2CC[C@@H]([C@@H](C2)C(=O)N[C@H](CC3CCCCC3)C(=O)N(C)C)NC(=O)CCN4c5ccccc5NC4=O
Non polymer #3 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference