• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

Direct determination of vibrational density of states change on ligand binding to a protein.

作者信息

Balog Erika, Becker Torsten, Oettl Martin, Lechner Ruep, Daniel Roy, Finney John, Smith Jeremy C

机构信息

IWR, Universität Heidelberg, Im Neuenheimer Feld 368, 69120 Heidelberg, Germany.

出版信息

Phys Rev Lett. 2004 Jul 9;93(2):028103. doi: 10.1103/PhysRevLett.93.028103.

DOI:10.1103/PhysRevLett.93.028103
PMID:15323955
Abstract

The change in the vibrational density of states of a protein (dihydrofolate reductase) on binding a ligand (methotrexate) is determined using inelastic neutron scattering. The vibrations of the complex soften significantly relative to the unbound protein. The resulting free-energy change, which is directly determined by the density of states change, is found to contribute significantly to the binding equilibrium.

摘要

相似文献

1
Direct determination of vibrational density of states change on ligand binding to a protein.
Phys Rev Lett. 2004 Jul 9;93(2):028103. doi: 10.1103/PhysRevLett.93.028103.
2
Vibrational softening of a protein on ligand binding.配体结合导致蛋白质振动软化。
J Phys Chem B. 2011 Jun 2;115(21):6811-7. doi: 10.1021/jp108493g. Epub 2011 May 10.
3
Theory and normal-mode analysis of change in protein vibrational dynamics on ligand binding.配体结合时蛋白质振动动力学变化的理论和正则模态分析。
J Phys Chem B. 2010 Jan 28;114(3):1479-85. doi: 10.1021/jp909677p.
4
Preliminary neutron diffraction studies of Escherichia coli dihydrofolate reductase bound to the anticancer drug methotrexate.与抗癌药物甲氨蝶呤结合的大肠杆菌二氢叶酸还原酶的初步中子衍射研究。
Acta Crystallogr D Biol Crystallogr. 2005 May;61(Pt 5):574-9. doi: 10.1107/S0907444905004804. Epub 2005 Apr 20.
5
Ligand binding to a high-energy partially unfolded protein.配体与高能部分展开的蛋白质结合。
Protein Sci. 2015 Jan;24(1):129-37. doi: 10.1002/pro.2596. Epub 2014 Dec 5.
6
Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexate.大肠杆菌二氢叶酸还原酶与甲氨蝶呤复合物的中子衍射研究。
Proc Natl Acad Sci U S A. 2006 Dec 5;103(49):18493-8. doi: 10.1073/pnas.0604977103. Epub 2006 Nov 27.
7
Conformational heterogeneity and low-frequency vibrational modes of proteins.蛋白质的构象异质性和低频振动模式
Phys Chem Chem Phys. 2006 Dec 21;8(47):5543-8. doi: 10.1039/b610075a. Epub 2006 Nov 8.
8
Thermodynamics and solvent effects on substrate and cofactor binding in Escherichia coli chromosomal dihydrofolate reductase.大肠杆菌染色体二氢叶酸还原酶中底物和辅因子结合的热力学和溶剂效应。
Biochemistry. 2011 May 10;50(18):3673-85. doi: 10.1021/bi2002373. Epub 2011 Apr 15.
9
Thermodynamics and kinetics of ligand-protein binding studied with the weighted histogram analysis method and simulated annealing.用加权直方图分析法和模拟退火法研究配体-蛋白质结合的热力学和动力学。
Pac Symp Biocomput. 1999:426-37. doi: 10.1142/9789814447300_0042.
10
Mass spectrometry on hydrogen/deuterium exchange of dihydrofolate reductase: effects of ligand binding.二氢叶酸还原酶氢/氘交换的质谱分析:配体结合的影响
J Biochem. 2004 Jun;135(6):663-71. doi: 10.1093/jb/mvh080.

引用本文的文献

1
Decoupling of the onset of anharmonicity between a protein and its surface water around 200 K.在 200K 左右,蛋白质与其表面水之间非谐性的起始去耦。
Elife. 2024 Aug 19;13:RP95665. doi: 10.7554/eLife.95665.
2
Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.X 射线晶体学和非弹性中子散射研究对氧乐果与人乙酰胆碱酯酶结合的结构和动态影响。
Structure. 2022 Nov 3;30(11):1538-1549.e3. doi: 10.1016/j.str.2022.09.006. Epub 2022 Oct 19.
3
Exploring the Limits of Biological Complexity Amenable to Studies by Incoherent Neutron Spectroscopy.
探索适用于非相干中子光谱学研究的生物复杂性极限。
Life (Basel). 2022 Aug 11;12(8):1219. doi: 10.3390/life12081219.
4
Characterization of peptides self-assembly by low frequency Raman spectroscopy.低频拉曼光谱法对肽自组装的表征
RSC Adv. 2018 Apr 30;8(29):16161-16170. doi: 10.1039/c8ra01232f. eCollection 2018 Apr 27.
5
Joint neutron/molecular dynamics vibrational spectroscopy reveals softening of HIV-1 protease upon binding of a tight inhibitor.联合中子/分子动力学振动光谱揭示了紧密抑制剂结合时 HIV-1 蛋白酶的软化。
Phys Chem Chem Phys. 2022 Feb 9;24(6):3586-3597. doi: 10.1039/d1cp05487b.
6
Protein-Ligand Binding Molecular Details Revealed by Terahertz Optical Kerr Spectroscopy: A Simulation Study.太赫兹光克尔光谱揭示的蛋白质-配体结合分子细节:一项模拟研究
JACS Au. 2021 Sep 15;1(10):1788-1797. doi: 10.1021/jacsau.1c00356. eCollection 2021 Oct 25.
7
Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.结构、电子和静电因素对 SARS-CoV-2 主蛋白酶中 S1 和 S2 亚基抑制剂结合的影响。
J Med Chem. 2021 Dec 9;64(23):17366-17383. doi: 10.1021/acs.jmedchem.1c01475. Epub 2021 Oct 27.
8
Controlling the Substrate Specificity of an Enzyme through Structural Flexibility by Varying the Salt-Bridge Density.通过改变盐桥密度来控制通过结构柔性控制酶的底物特异性。
Molecules. 2021 Sep 20;26(18):5693. doi: 10.3390/molecules26185693.
9
Chemically Accurate Vibrational Free Energies of Adsorption from Density Functional Theory Molecular Dynamics: Alkanes in Zeolites.基于密度泛函理论分子动力学的化学精确吸附振动自由能:沸石中的烷烃
J Chem Theory Comput. 2021 Sep 14;17(9):5849-5862. doi: 10.1021/acs.jctc.1c00519. Epub 2021 Aug 30.
10
Metallodrug-protein interaction probed by synchrotron terahertz and neutron scattering spectroscopy.通过同步加速器太赫兹和中子散射光谱法探测金属药物与蛋白质的相互作用。
Biophys J. 2021 Aug 3;120(15):3070-3078. doi: 10.1016/j.bpj.2021.06.012. Epub 2021 Jun 30.