X-ray structure of Salmonella typhimurium uridine phosphorylase complexed with 5-fluorouracil and molecular modelling of the complex of 5-fluorouracil with uridine phosphorylase from Vibrio cholerae

LashkovA.A.; SotnichenkoS.E.; ProkofievI.I.GabdulkhakovA.G.AgapovI.I.ShtilA.A.BetzelC.MironovA.S.MikhailovA.M.

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X-ray structure of Salmonella typhimurium uridine phosphorylase complexed with 5-fluorouracil and molecular modelling of the complex of 5-fluorouracil with uridine phosphorylase from Vibrio cholerae

机译：x射线结构鼠伤寒沙门氏菌尿苷磷酸化酶复合体与5 -氟尿嘧啶造型复杂的分子5 -氟尿嘧啶和尿苷磷酸化酶霍乱弧菌

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Uridine phosphorylase (UPh), which is a key enzyme in the reutilization pathway of pyrimidine nucleoside metabolism, is a validated target for the treatment of infectious diseases and cancer. A detailed analysis of the interactions of UPh with the therapeutic ligand 5-fluorouracil (5-FUra) is important for the rational design of pharmacological inhibitors of these enzymes in prokaryotes and eukaryotes. Expanding on the preliminary analysis of the spatial organization of the active centre of UPh from the pathogenic bacterium Salmonella typhimurium (StUPh) in complex with 5-FUra [Lashkov et al. (2009), Acta Cryst. F65, 601-603], the X-ray structure of the StUPh-5-FUra complex was analysed at atomic resolution and an in silico model of the complex formed by the drug with UPh from Vibrio cholerae (VchUPh) was generated. These results should be considered in the design of selective inhibitors of UPhs from various species.

机译：尿苷磷酸化酶(大学),这是一个关键酶嘧啶的二次利用途径核苷代谢,是验证的目标治疗传染性疾病和癌症。大学之间的相互作用进行了详细分析配体5 -氟尿嘧啶治疗(5-FUra)的合理的设计是很重要的药理这些酶的抑制剂原核生物和真核生物。空间组织的初步分析的活性中心大学的致病性细菌鼠伤寒沙门氏菌(StUPh)结晶的。在原子StUPh-5-FUra复杂的分析分辨率和复杂的计算机模型中由药物与霍乱弧菌的大学(VchUPh)生成。在选择性抑制剂的设计考虑大学的各种物种。

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《Acta crystallographica.Section D. Biological crystallography》 |2012年第8期|968-974|共7页
作者
LashkovA.A.; SotnichenkoS.E.; ProkofievI.I.GabdulkhakovA.G.AgapovI.I.ShtilA.A.BetzelC.MironovA.S.MikhailovA.M.;
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作者单位

A. V. Shubnikov Institute of Crystallography, Russian Academy of Sciences, 59 Leninsky Prospekt;

State Research Institute of Genetics, Selection of Industrial Microorganisms, 1 1st Dorozhny Proezd;

University of Hamburg, 85 Notkestrasse, 22603 Hamburg, GermanyShumakov Research Center for Transplantology and Artificial Organs, 1 Shchukinskaya Street, 123182Blokhin Cancer Center, 24 Kashirskoye Shosse, 115478 Moscow, Russian Federation;

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正文语种英语
中图分类化学;
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Uridine Phosphorylase; molecular model; X RAY STRUCTUREFluorouracilmolecular dockingSalmonella typhimuriumVibrio cholerae;

机译：尿苷磷酸化酶;分子模型;X射线STRUCTUREFluorouracilmolecular dockingSalmonellatyphimuriumVibrio cholerae;

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1. Induction of Recombinant Uridine Phosphorylase and Its Application in Biosynthesis of Pyrimidine Nucleosides [J] . 丁庆豹, 欧伶, 魏东芝, 中国化学工程学报：英文版 . 2011,第001期
2. Effects of thymidine phosphorylase on tumor aggressiveness and 5-fluorouracil sensitivity in cholangiocarcinoma [J] . Jongkonnee, Thanasai, Temduang, 世界胃肠病学杂志：英文版 . 2010,第013期

X-ray structure of Salmonella typhimurium uridine phosphorylase complexed with 5-fluorouracil and molecular modelling of the complex of 5-fluorouracil with uridine phosphorylase from Vibrio cholerae

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