Suppr超能文献

使用集成建模平台计算、验证和归档蛋白质复合物结构模型。

Using Integrative Modeling Platform to compute, validate, and archive a model of a protein complex structure.

机构信息

Department of Bioengineering and Therapeutic Sciences, Department of Pharmaceutical Chemistry, and California Institute for Quantitative Biosciences, University of California, San Francisco, California, USA.

National Center for Biological Sciences, Tata Institute of Fundamental Research, Bangalore, India.

出版信息

Protein Sci. 2021 Jan;30(1):250-261. doi: 10.1002/pro.3995. Epub 2020 Dec 3.

Abstract

Biology is advanced by producing structural models of biological systems, such as protein complexes. Some systems are recalcitrant to traditional structure determination methods. In such cases, it may still be possible to produce useful models by integrative structure determination that depends on simultaneous use of multiple types of data. An ensemble of models that are sufficiently consistent with the data is produced by a structural sampling method guided by a data-dependent scoring function. The variation in the ensemble of models quantified the uncertainty of the structure, generally resulting from the uncertainty in the input information and actual structural heterogeneity in the samples used to produce the data. Here, we describe how to generate, assess, and interpret ensembles of integrative structural models using our open source Integrative Modeling Platform program (https://integrativemodeling.org).

摘要

生物学通过构建生物系统(如蛋白质复合物)的结构模型来取得进展。有些系统对传统的结构测定方法具有抗性。在这种情况下,通过依赖于多种类型数据的同时使用的综合结构测定,仍然有可能生成有用的模型。通过由数据依赖评分函数指导的结构抽样方法,生成与数据足够一致的模型集合。模型集合的变化量化了结构的不确定性,通常是由于输入信息的不确定性和用于产生数据的样本中的实际结构异质性造成的。在这里,我们描述了如何使用我们的开源综合建模平台程序(https://integrativemodeling.org)生成、评估和解释综合结构模型的集合。

相似文献

1
Using Integrative Modeling Platform to compute, validate, and archive a model of a protein complex structure.
Protein Sci. 2021 Jan;30(1):250-261. doi: 10.1002/pro.3995. Epub 2020 Dec 3.
2
Modeling Biological Complexes Using Integrative Modeling Platform.
Methods Mol Biol. 2019;2022:353-377. doi: 10.1007/978-1-4939-9608-7_15.
3
Integrative structure modeling with the Integrative Modeling Platform.
Protein Sci. 2018 Jan;27(1):245-258. doi: 10.1002/pro.3311. Epub 2017 Oct 10.
4
Optimizing model representation for integrative structure determination of macromolecular assemblies.
Proc Natl Acad Sci U S A. 2019 Jan 8;116(2):540-545. doi: 10.1073/pnas.1814649116. Epub 2018 Dec 26.
5
Modeling of proteins and their assemblies with the integrative modeling platform.
Methods Mol Biol. 2011;781:377-97. doi: 10.1007/978-1-61779-276-2_19.
6
From integrative structural biology to cell biology.
J Biol Chem. 2021 Jan-Jun;296:100743. doi: 10.1016/j.jbc.2021.100743. Epub 2021 May 4.
7
Bayesian Weighing of Electron Cryo-Microscopy Data for Integrative Structural Modeling.
Structure. 2019 Jan 2;27(1):175-188.e6. doi: 10.1016/j.str.2018.09.011. Epub 2018 Nov 1.
8
Archiving and disseminating integrative structure models.
J Biomol NMR. 2019 Jul;73(6-7):385-398. doi: 10.1007/s10858-019-00264-2. Epub 2019 Jul 5.
9
Structure of γ-tubulin small complex based on a cryo-EM map, chemical cross-links, and a remotely related structure.
J Struct Biol. 2016 Jun;194(3):303-10. doi: 10.1016/j.jsb.2016.03.006. Epub 2016 Mar 8.
10
Structure-based characterization of multiprotein complexes.
Structure. 2014 Jul 8;22(7):1063-70. doi: 10.1016/j.str.2014.05.005. Epub 2014 Jun 19.

引用本文的文献

2
Multimodal cell maps as a foundation for structural and functional genomics.
Nature. 2025 Apr 9. doi: 10.1038/s41586-025-08878-3.
3
Tutorial on integrative spatiotemporal modeling by integrative modeling platform.
Protein Sci. 2025 Apr;34(4):e70107. doi: 10.1002/pro.70107.
4
Integrative spatiotemporal modeling of biomolecular processes: Application to the assembly of the nuclear pore complex.
Proc Natl Acad Sci U S A. 2025 Mar 18;122(11):e2415674122. doi: 10.1073/pnas.2415674122. Epub 2025 Mar 14.
5
Frontiers in integrative structural modeling of macromolecular assemblies.
QRB Discov. 2025 Jan 22;6:e3. doi: 10.1017/qrd.2024.15. eCollection 2025.
6
Multiscale simulations reveal architecture of NOTCH protein and ligand specific features.
Biophys J. 2025 Jan 21;124(2):393-407. doi: 10.1016/j.bpj.2024.12.014. Epub 2024 Dec 13.
7
A new discrete-geometry approach for integrative docking of proteins using chemical crosslinks.
bioRxiv. 2025 Jan 7:2024.10.24.619977. doi: 10.1101/2024.10.24.619977.
10
The molecular architecture of the nuclear basket.
Cell. 2024 Sep 19;187(19):5267-5281.e13. doi: 10.1016/j.cell.2024.07.020. Epub 2024 Aug 9.

本文引用的文献

1
Structural basis of CD4 downregulation by HIV-1 Nef.
Nat Struct Mol Biol. 2020 Sep;27(9):822-828. doi: 10.1038/s41594-020-0463-z. Epub 2020 Jul 27.
2
Structural dynamics of the human COP9 signalosome revealed by cross-linking mass spectrometry and integrative modeling.
Proc Natl Acad Sci U S A. 2020 Feb 25;117(8):4088-4098. doi: 10.1073/pnas.1915542117. Epub 2020 Feb 7.
3
Modeling Biological Complexes Using Integrative Modeling Platform.
Methods Mol Biol. 2019;2022:353-377. doi: 10.1007/978-1-4939-9608-7_15.
4
Archiving and disseminating integrative structure models.
J Biomol NMR. 2019 Jul;73(6-7):385-398. doi: 10.1007/s10858-019-00264-2. Epub 2019 Jul 5.
5
Principles for Integrative Structural Biology Studies.
Cell. 2019 May 30;177(6):1384-1403. doi: 10.1016/j.cell.2019.05.016.
6
Optimizing model representation for integrative structure determination of macromolecular assemblies.
Proc Natl Acad Sci U S A. 2019 Jan 8;116(2):540-545. doi: 10.1073/pnas.1814649116. Epub 2018 Dec 26.
7
Integrative structure and functional anatomy of a nuclear pore complex.
Nature. 2018 Mar 22;555(7697):475-482. doi: 10.1038/nature26003. Epub 2018 Mar 14.
8
Assessing Exhaustiveness of Stochastic Sampling for Integrative Modeling of Macromolecular Structures.
Biophys J. 2017 Dec 5;113(11):2344-2353. doi: 10.1016/j.bpj.2017.10.005.
9
Integrative structure modeling with the Integrative Modeling Platform.
Protein Sci. 2018 Jan;27(1):245-258. doi: 10.1002/pro.3311. Epub 2017 Oct 10.
10
The molecular architecture of the yeast spindle pole body core determined by Bayesian integrative modeling.
Mol Biol Cell. 2017 Nov 7;28(23):3298-3314. doi: 10.1091/mbc.E17-06-0397. Epub 2017 Aug 16.

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验