Development of safe non-uniform sampling processing method and its application into proteins

安全非均匀采样处理方法的开发及其在蛋白质中的应用

• 批准号: 22770106
• 负责人: JEE Jungoo
• 金额: $ 2.75万
• 依托单位: Tokyo Metropolitan University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Young Scientists (B)
• 财政年份: 2010
• 资助国家: 日本
• 起止时间: 2010 至 2011
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-22770106/
• 关键词: 非均一低密度サンプリング; 多次元NMR法; 自動構造計算; CYANA; 非均一サンプリング

The aim of this study is to establish an integrated tool for non-uniform sampling(NUS) in multidimensional NMR for challenging the structures of proteins that are difficult to be determined with conventional NMR experiments. In this study, there were two advances.(1) We clarified that the distorted baselines in NUS spectra are mainly caused by strong peaks. By combining NUS and experiments that do not yield diagonal peaks in NOESY experiments, we could safely apply NUS method into NOESY data.(2) By modifying CYANA to handle with the chemical shifts in sparse sampling experiments, we could determine the structure of proteins without reconstructing the sparsely sampled data into 3D format.

本研究的目的是建立一个集成的工具，非均匀采样（NUS）的多维NMR挑战的蛋白质结构，是很难确定与传统的NMR实验。在这项研究中，有两个进步。(1)我们澄清了NUS光谱中的畸变基线主要是由强峰引起的。通过将NUS方法与NOESY实验中不产生对角峰的实验相结合，我们可以安全地将NUS方法应用于NOESY数据。(2)通过对CYANA进行修改，使其能够处理稀疏采样实验中的化学位移，从而可以在不将稀疏采样数据重建为3D格式的情况下确定蛋白质结构。

项目成果

Solution structure of the HRDC domain of human Bloom syndrome protein BLM.

• DOI: 10.1093/jb/mvq097
• 发表时间: 2010-10
• 期刊: Journal of biochemistry
• 影响因子: 2.7
• 作者: A. Sato;M. Mishima;A. Nagai;Sun-Yong Kim;Yutaka Ito;T. Hakoshima;J. Jee;K. Kitano

Solution structure of the Zβ domain of human DNA-dependent activator of IFN-regulatory factors and its binding modes to B- and Z-DNAs

• DOI: 10.1073/pnas.1014898107
• 发表时间: 2011-04-26
• 期刊: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
• 影响因子: 11.1
• 作者: Kim, Kyungmin;Khayrutdinov, Bulat I.;Jeon, Young Ho
• 通讯作者: Jeon, Young Ho

Exclusively NOESY-based automated NMR assignment and structure determination of proteins

• DOI: 10.1007/s10858-011-9502-8
• 发表时间: 2011-06-01
• 期刊: JOURNAL OF BIOMOLECULAR NMR
• 影响因子: 2.7
• 作者: Ikeya, Teppei;Jee, Jun-Goo;Guentert, Peter
• 通讯作者: Guentert, Peter

NSC114792, a novel small molecule identified through structure-based computational database screening, selectively inhibits JAK3

• DOI: 10.1186/1476-4598-9-36
• 发表时间: 2010-02-11
• 期刊: MOLECULAR CANCER
• 影响因子: 37.3
• 作者: Kim, Byung-Hak;Jee, Jun-Goo;Baeg, Gyeong-Hun
• 通讯作者: Baeg, Gyeong-Hun