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xiVIEW:交联质谱数据的可视化。

xiVIEW: Visualisation of Crosslinking Mass Spectrometry Data.

机构信息

University of Edinburgh, School of Biological Sciences, Edinburgh EH9 3JR, UK.

University of Edinburgh, School of Biological Sciences, Edinburgh EH9 3JR, UK.

出版信息

J Mol Biol. 2024 Sep 1;436(17):168656. doi: 10.1016/j.jmb.2024.168656. Epub 2024 Jun 19.

Abstract

Crosslinking mass spectrometry (MS) has emerged as an important technique for elucidating the in-solution structures of protein complexes and the topology of protein-protein interaction networks. However, the expanding user community lacked an integrated visualisation tool that helped them make use of the crosslinking data for investigating biological mechanisms. We addressed this need by developing xiVIEW, a web-based application designed to streamline crosslinking MS data analysis, which we present here. xiVIEW provides a user-friendly interface for accessing coordinated views of mass spectrometric data, network visualisation, annotations extracted from trusted repositories like UniProtKB, and available 3D structures. In accordance with recent recommendations from the crosslinking MS community, xiVIEW (i) provides a standards compliant parser to improve data integration and (ii) offers accessible visualisation tools. By promoting the adoption of standard file formats and providing a comprehensive visualisation platform, xiVIEW empowers both experimentalists and modellers alike to pursue their respective research interests. We anticipate that xiVIEW will advance crosslinking MS-inspired research, and facilitate broader and more effective investigations into complex biological systems.

摘要

交联质谱(MS)已成为阐明蛋白质复合物溶液结构和蛋白质-蛋白质相互作用网络拓扑结构的重要技术。然而,不断扩大的用户群体缺乏一种集成的可视化工具,无法帮助他们利用交联数据来研究生物机制。我们通过开发 xiVIEW 来满足这一需求,这是一种基于网络的应用程序,旨在简化交联 MS 数据分析,我们在此介绍它。xiVIEW 为访问质谱数据、网络可视化、从 UniProtKB 等可信存储库提取的注释以及可用的 3D 结构的协调视图提供了一个用户友好的界面。根据交联 MS 社区的最新建议,xiVIEW(i) 提供了一个符合标准的解析器,以改善数据集成,(ii) 提供了可访问的可视化工具。通过推广标准文件格式的采用和提供全面的可视化平台,xiVIEW 使实验家和建模者都能够追求各自的研究兴趣。我们预计 xiVIEW 将推动交联 MS 启发的研究,并促进对复杂生物系统进行更广泛和更有效的研究。

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