Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70

Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70 Descriptor: DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine Authors: Kimani, S, Owen, J, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Shahani, V.M, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) Deposit date: 2021-11-10 Release date: 2021-12-15 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets. J.Chem.Inf.Model., 63, 2023

人类DCAF1的WDR结构域（WDR domain）与CYCA-117-70结合的复合物晶体结构
描述项：DDB1与CUL4关联因子1（DDB1- and CUL4-associated factor 1），N-[(3R)-1-(3-氟苯基)哌啶-3-基]-6-(吗啉-4-基)嘧啶-4-胺
作者：Kimani, S、Owen, J、Li, A、Dong, A、Li, Y、Hutchinson, A、Seitova, A、Shahani, V.M、Schapira, M、Arrowsmith, C.H、Edwards, A.M、Halabelian, L，结构基因组学联合会（Structural Genomics Consortium, SGC）
存放日期：2021-11-10
发布日期：2021-12-15
最后修改日期：2023-11-22
实验方法：X射线衍射（X-RAY DIFFRACTION，分辨率1.62埃）
引用文献：《基于药物-靶点相互作用预测模型发现新型DCAF1配体：将机器学习推广至新药物靶点》，J.Chem.Inf.Model., 63, 2023