Crystal structure of WRN in complex with compound 4
收藏Protein Data Bank Japan2025-07-02 更新2026-04-19 收录
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Crystal structure of WRN in complex with compound 4 Descriptor: (3R,4S)-N-[(2R)-3-cyclohexyl-1-(dimethylamino)-1-oxopropan-2-yl]-1-[(2-fluoro-4-methylphenyl)acetyl]-4-[3-(2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)propanamido]piperidine-3-carboxamide, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION Authors: Pemberton, O.A, Tong, Y, Nocek, B, Tang, H.Y.H. Deposit date: 2025-04-30 Release date: 2025-06-18 Last modified: 2025-07-02 Method: X-RAY DIFFRACTION (2.06 Å) Cite: Validation, Key Pharmacophores, and X-ray Cocrystal Structures of Novel Biochemically and Cellularly Active WRN Inhibitors Derived from a DNA-Encoded Library Screen. J.Med.Chem., 68, 2025
化合物4结合态WRN的晶体结构
描述：(3R,4S)-N-[(2R)-3-环己基-1-(二甲氨基)-1-氧代丙-2-基]-1-[(2-氟-4-甲基苯基)乙酰基]-4-[3-(2-氧代-2,3-二氢-1H-1,3-苯并咪唑-1-基)丙酰胺基]哌啶-3-甲酰胺、多功能3'-5'核酸外切酶/ATP依赖型解旋酶WRN以及锌离子
作者：Pemberton O.A、Tong Y、Nocek B、Tang H.Y.H.
提交日期：2025-04-30
发布日期：2025-06-18
最后修改日期：2025-07-02
实验方法：X射线衍射（分辨率2.06 Å）
引用文献：《验证、关键药效团及源自DNA编码文库筛选的新型兼具生化与细胞活性的WRN抑制剂的X射线共晶体结构》，J.Med.Chem., 68, 2025
创建时间：
2025-04-30
