Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 4 [1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol]

Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 4 [1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol] Descriptor: 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE Authors: Nomme, J, Lavie, A. Deposit date: 2014-04-03 Release date: 2014-11-05 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J.Med.Chem., 57, 2014

本数据集对应人类脱氧胞苷激酶（dCK, Deoxycytidine kinase）C4S-S74E突变体与尿苷-5'-二磷酸（URIDINE-5'-DIPHOSPHATE）及抑制剂4[1-[5-(4-{[(2,6-二氨基嘧啶-4-基)硫基]甲基}-5-丙基-1,3-噻唑-2-基)-2-甲氧基苯氧基]-2-甲基丙-2-醇]形成的复合物。描述项：1-(5-(4-(((2,6-二氨基嘧啶-4-基)硫基)甲基)-5-丙基噻唑-2-基)-2-甲氧基苯氧基)-2-甲基丙-2-醇、脱氧胞苷激酶、尿苷-5'-二磷酸。作者：Nomme J、Lavie A。提交日期：2014-04-03，发布日期：2014-11-05，最后修改日期：2023-09-20。实验方法：X射线衍射（分辨率2 Å）。引用文献：《基于结构导向开发具有纳摩尔亲和力与更佳代谢稳定性的脱氧胞苷激酶抑制剂》，《药物化学杂志》（J. Med. Chem.），57卷，2014年。