Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40333

Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40333 Descriptor: DDB1- and CUL4-associated factor 1, N-{(1P)-5'-({(17E)-18-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-16-oxo-3,6,9,12-tetraoxa-15-azaoctadec-17-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, WD repeat-containing protein 5 Authors: Mabanglo, M.F, Wilson, B.J, Alvarez, H.G, Hoffer, L, Al-awar, R, Vedadi, M. Deposit date: 2024-04-02 Release date: 2024-11-06 Last modified: 2024-12-04 Method: X-RAY DIFFRACTION (2.06 Å) Cite: Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity. Nat Commun, 15, 2024

编号为OICR-40333的PROTAC（蛋白降解靶向嵌合体，Proteolysis Targeting Chimeras）结合DCAF1与WDR5的三元复合物晶体结构。
描述项：DDB1-和CUL4相关因子1（DDB1- and CUL4-associated factor 1）、N-{(1P)-5'-({(17E)-18-[(3P)-4-{[(1S)-3-氨基-1-(3-氯-4-氟苯基)-3-氧代丙基]氨基甲酰基}-3-(4-氯-2-氟苯基)-1H-吡咯-2-基]-16-氧代-3,6,9,12-四氧杂-15-氮杂十八碳-17-烯-1-基}氨基甲酰基)-2'-氟-4-[(3R,5S)-3,4,5-三甲基哌嗪-1-基][1,1'-联苯]-3-基}-6-氧代-4-(三氟甲基)-1,6-二氢吡啶-3-甲酰胺、WD重复包含蛋白5（WD repeat-containing protein 5）
作者：Mabanglo M.F.、Wilson B.J.、Alvarez H.G.、Hoffer L.、Al-awar R.、Vedadi M.
存档日期：2024-04-02
发布日期：2024-11-06
最后修改日期：2024-12-04
测试方法：X射线衍射（分辨率2.06埃）
引用文献：《DCAF1-PROTAC-WDR5三元复合物晶体结构揭示DCAF1底物特异性》，《自然·通讯》，第15卷，2024年