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利用 3D-Beacons 网络:访问和显示蛋白质结构数据的综合指南。

Harnessing the 3D-Beacons Network: A Comprehensive Guide to Accessing and Displaying Protein Structure Data.

机构信息

Protein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridge, United Kingdom.

出版信息

Curr Protoc. 2024 May;4(5):e1047. doi: 10.1002/cpz1.1047.

Abstract

Recent advancements in protein structure determination and especially in protein structure prediction techniques have led to the availability of vast amounts of macromolecular structures. However, the accessibility and integration of these structures into scientific workflows are hindered by the lack of standardization among publicly available data resources. To address this issue, we introduced the 3D-Beacons Network, a unified platform that aims to establish a standardized framework for accessing and displaying protein structure data. In this article, we highlight the importance of standardized approaches for accessing protein structure data and showcase the capabilities of 3D-Beacons. We describe four protocols for finding and accessing macromolecular structures from various specialist data resources via 3D-Beacons. First, we describe three scenarios for programmatically accessing and retrieving data using the 3D-Beacons API. Next, we show how to perform sequence-based searches to find structures from model providers. Then, we demonstrate how to search for structures and fetch them directly into a workflow using JalView. Finally, we outline the process of facilitating access to data from providers interested in contributing their structures to the 3D-Beacons Network. © 2024 The Authors. Current Protocols published by Wiley Periodicals LLC. Basic Protocol 1: Programmatic access to the 3D-Beacons API Basic Protocol 2: Sequence-based search using the 3D-Beacons API Basic Protocol 3: Accessing macromolecules from 3D-Beacons with JalView Basic Protocol 4: Enhancing data accessibility through 3D-Beacons.

摘要

最近在蛋白质结构测定方面的进展,特别是在蛋白质结构预测技术方面,已经导致大量大分子结构的可用性。然而,由于公共可用数据资源之间缺乏标准化,这些结构的可访问性和集成到科学工作流程中受到阻碍。为了解决这个问题,我们引入了 3D-Beacons 网络,这是一个统一的平台,旨在建立访问和显示蛋白质结构数据的标准化框架。在本文中,我们强调了访问蛋白质结构数据的标准化方法的重要性,并展示了 3D-Beacons 的功能。我们描述了通过 3D-Beacons 从各种专业数据资源中查找和访问大分子结构的四个协议。首先,我们描述了使用 3D-Beacons API 进行编程访问和检索数据的三种情况。接下来,我们展示了如何进行基于序列的搜索,从模型提供者那里找到结构。然后,我们演示了如何使用 JalView 搜索结构并直接将其提取到工作流程中。最后,我们概述了促进对有兴趣将其结构贡献到 3D-Beacons 网络的提供者的数据的访问的过程。©2024 作者。Wiley Periodicals LLC 出版的《当代协议》。基本方案 1:使用 3D-Beacons API 的编程访问基本方案 2:使用 3D-Beacons API 的基于序列的搜索基本方案 3:使用 JalView 从 3D-Beacons 访问大分子基本方案 4:通过 3D-Beacons 增强数据可访问性。

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