Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0325 inhibitor

Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0325 inhibitor Descriptor: 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ... Authors: Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. Deposit date: 2022-04-07 Release date: 2023-06-07 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.1 Å) Cite: From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023

与尿苷二磷酸（UDP）以及OR0325抑制剂结合的脱氧胞苷激酶（dCK）C4S-S74E突变体的晶体结构。描述项：4-(4-氨基嘧啶-2-基)-N-[2-甲基-5-[4-[2-(4-甲基哌嗪-1-基)乙基]苯基]苯基]-1,3-噻唑-2-胺、脱氧胞苷激酶、钠离子等。作者：Saez-Ayala, M、Ben-Yaala, K、Betzi, S、Rebuffet, E、Morelli, X。提交日期：2022-04-07；发布日期：2023-06-07；最后修改日期：2024-02-07。实验方法：X射线衍射（分辨率2.1埃）。引用文献：《从药物重定位到基于结构的药物设计策略攻克急性淋巴细胞白血病》，《自然·通讯》（Nat Commun），14卷，2023年。