Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40792

Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40792 Descriptor: (4P)-N-[(1R)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(25E)-1-{(1P)-6-fluoro-3'-[4-fluoro-2-(trifluoromethyl)benzamido]-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-1,24-dioxo-5,8,11,14,17,20-hexaoxa-2,23-diazahexacos-25-en-26-yl]-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, WD repeat-containing protein 5 Authors: Mabanglo, M.F, Wilson, B.J, Mamai, A, Hoffer, L, Al-awar, R, Vedadi, M. Deposit date: 2024-04-03 Release date: 2024-11-06 Last modified: 2024-12-04 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity. Nat Commun, 15, 2024

本数据集收录了DCAF1（DDB1与CUL4相关因子1）与WDR5（WD重复蛋白5）结合PROTAC（蛋白水解靶向嵌合体）OICR-40792形成的三元复合物的晶体结构。描述符：(4P)-N-[(1R)-3-氨基-1-(3-氯-4-氟苯基)-3-氧代丙基]-4-(4-氯-2-氟苯基)-5-[(25E)-1-{(1P)-6-氟-3'-[4-氟-2-(三氟甲基)苯甲酰胺基]-4'-[(3R,5S)-3,4,5-三甲基哌嗪-1-基][1,1'-联苯基]-3-基}-1,24-二氧代-5,8,11,14,17,20-六氧杂-2,23-二氮杂二十六碳-25-烯-26-基]-1H-吡咯-3-甲酰胺；相关蛋白为DDB1与CUL4相关因子1、WD重复蛋白5。作者：Mabanglo, M.F、Wilson, B.J、Mamai, A、Hoffer, L、Al-awar, R、Vedadi, M。提交日期：2024-04-03；发布日期：2024-11-06；最后修改日期：2024-12-04。实验方法：X射线衍射（分辨率1.92埃）。引用文献：DCAF1-PROTAC-WDR5三元复合物的晶体结构为解析DCAF1底物特异性提供关键见解。《自然-通讯》，15卷，2024年。