从晶体堆积到分子识别： polo样激酶1表面结合位点的预测与发现 - Suppr

From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1.

作者信息

Śledź Paweł, Stubbs Christopher J, Lang Steffen, Yang Yong-Qing, McKenzie Grahame J, Venkitaraman Ashok R, Hyvönen Marko, Abell Chris

机构信息

University Chemical Laboratory, University of Cambridge, Lensfield Road, CB2 1EW, Cambridge, UK.

出版信息

Angew Chem Int Ed Engl. 2011 Apr 18;50(17):4003-6. doi: 10.1002/anie.201008019. Epub 2011 Mar 29.

DOI:10.1002/anie.201008019

PMID:21472932

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3555362/

Abstract

摘要

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/784a/3555362/f0e5dbc7d764/anie0050-4003-f1.jpg

相似文献

From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1.从晶体堆积到分子识别： polo样激酶1表面结合位点的预测与发现

Angew Chem Int Ed Engl. 2011 Apr 18;50(17):4003-6. doi: 10.1002/anie.201008019. Epub 2011 Mar 29.

Using ligand-mapping simulations to design a ligand selectively targeting a cryptic surface pocket of polo-like kinase 1.利用配体映射模拟设计一种选择性靶向polo样激酶1隐秘表面口袋的配体。

Angew Chem Int Ed Engl. 2012 Oct 1;51(40):10078-81. doi: 10.1002/anie.201205676. Epub 2012 Sep 7.

Structural analysis of the polo-box domain of human Polo-like kinase 2.人类Polo样激酶2的Polo盒结构域的结构分析

Proteins. 2015 Jul;83(7):1201-8. doi: 10.1002/prot.24804. Epub 2015 Apr 28.

Distinct surfaces on Cdc5/PLK Polo-box domain orchestrate combinatorial substrate recognition during cell division.Cdc5/PLK Polo-box 结构域上的独特表面在细胞分裂过程中协调组合底物识别。

Sci Rep. 2020 Feb 25;10(1):3379. doi: 10.1038/s41598-020-60344-4.

Thymoquinone blocks pSer/pThr recognition by Plk1 Polo-box domain as a phosphate mimic.百里醌作为一种磷酸模拟物，可阻断Plk1 Polo盒结构域对pSer/pThr的识别。

ACS Chem Biol. 2013 Feb 15;8(2):303-8. doi: 10.1021/cb3004379. Epub 2012 Nov 12.

Polo-box domain: a versatile mediator of polo-like kinase function.Polo -box 结构域：多用途 Polo 样激酶功能介体。

Cell Mol Life Sci. 2010 Jun;67(12):1957-70. doi: 10.1007/s00018-010-0279-9. Epub 2010 Feb 11.

Enhancing polo-like kinase 1 selectivity of polo-box domain-binding peptides.增强polo框结构域结合肽对polo样激酶1的选择性

Bioorg Med Chem. 2017 Oct 1;25(19):5041-5049. doi: 10.1016/j.bmc.2017.02.063. Epub 2017 Feb 28.

Structures of the wild-type and activated catalytic domains of Brachydanio rerio Polo-like kinase 1 (Plk1): changes in the active-site conformation and interactions with ligands.斑马鱼Polo样激酶1（Plk1）野生型和活化催化结构域的结构：活性位点构象的变化以及与配体的相互作用。

Acta Crystallogr D Biol Crystallogr. 2008 Sep;64(Pt 9):909-18. doi: 10.1107/S0907444908019513. Epub 2008 Aug 13.

Identification of high affinity polo-like kinase 1 (Plk1) polo-box domain binding peptides using oxime-based diversification.基于肟衍生化技术鉴定高亲和力 Polo 样激酶 1（Plk1） Polo -box 结构域结合肽。

ACS Chem Biol. 2012 May 18;7(5):805-10. doi: 10.1021/cb200469a. Epub 2012 Feb 14.

Molecular and enzoinformatics perspectives of targeting Polo-like kinase 1 in cancer therapy.靶向 Polo-like kinase 1 治疗癌症的分子和酶信息学研究进展。

Semin Cancer Biol. 2019 Jun;56:47-55. doi: 10.1016/j.semcancer.2017.11.004. Epub 2017 Nov 6.

引用本文的文献

Structural regulation of PLK1 activity: implications for cell cycle function and drug discovery.PLK1活性的结构调控：对细胞周期功能和药物发现的影响。

Cancer Gene Ther. 2025 May 16. doi: 10.1038/s41417-025-00907-7.

Fine-tuning probes for fluorescence polarization binding assays of bivalent ligands against polo-like kinase 1 using full-length protein.使用全长蛋白对针对polo样激酶1的二价配体进行荧光偏振结合测定的微调探针。

Bioorg Med Chem. 2025 Mar 1;119:118055. doi: 10.1016/j.bmc.2024.118055. Epub 2024 Dec 28.

Rational design of potent phosphopeptide binders to endocrine Snk PBD domain by integrating machine learning optimization, molecular dynamics simulation, binding energetics rescoring, and in vitro affinity assay.通过整合机器学习优化、分子动力学模拟、结合能重新评分和体外亲和力测定，对内分泌Snk PBD结构域的强效磷酸肽结合剂进行合理设计。

Eur Biophys J. 2025 Feb;54(1-2):33-43. doi: 10.1007/s00249-024-01729-5. Epub 2024 Nov 29.

Exploration of Cryptic Pockets Using Enhanced Sampling Along Normal Modes: A Case Study of KRAS .利用沿正则模态的增强采样技术探索隐窝：以 KRAS 为例的研究

J Chem Inf Model. 2024 Nov 11;64(21):8258-8273. doi: 10.1021/acs.jcim.4c01435. Epub 2024 Oct 17.

Leveraging the Fragment Molecular Orbital Method to Explore the PLK1 Kinase Binding Site and Polo-Box Domain for Potent Small-Molecule Drug Design.利用碎片分子轨道方法探索 PLK1 激酶结合位点和 Polo 框结构域，以进行有效的小分子药物设计。

Int J Mol Sci. 2023 Oct 27;24(21):15639. doi: 10.3390/ijms242115639.

Specific inhibition of an anticancer target, polo-like kinase 1, by allosterically dismantling its mechanism of substrate recognition.通过别构方式破坏其底物识别机制来特异性抑制抗癌靶标 polo 样激酶 1。

Proc Natl Acad Sci U S A. 2023 Aug 29;120(35):e2305037120. doi: 10.1073/pnas.2305037120. Epub 2023 Aug 21.

Design and synthesis of a new orthogonally protected glutamic acid analog and its use in the preparation of high affinity polo-like kinase 1 polo-box domain - binding peptide macrocycles.设计和合成一种新的正交保护谷氨酸类似物及其在高亲和力 Polo 样激酶 1 Polo 盒结构域结合肽大环的制备中的应用。

Org Biomol Chem. 2021 Sep 22;19(36):7843-7854. doi: 10.1039/d1ob01120k.

Testing the length limit of loop grafting in a helical repeat protein.测试螺旋重复蛋白中环状嫁接的长度限制。

Curr Res Struct Biol. 2020 Dec 8;3:30-40. doi: 10.1016/j.crstbi.2020.12.002. eCollection 2021.

Kinetochore phosphatases suppress autonomous Polo-like kinase 1 activity to control the mitotic checkpoint.动粒磷酸酶抑制自主 Polo 样激酶 1 的活性以控制有丝分裂检查点。

J Cell Biol. 2020 Dec 7;219(12). doi: 10.1083/jcb.202002020.

Development of a Novel Cell-Permeable Protein-Protein Interaction Inhibitor for the Polo-box Domain of Polo-like Kinase 1.开发一种针对Polo样激酶1的Polo盒结构域的新型细胞可渗透的蛋白质-蛋白质相互作用抑制剂。

ACS Omega. 2019 Dec 24;5(1):822-831. doi: 10.1021/acsomega.9b03626. eCollection 2020 Jan 14.

本文引用的文献

Polo-box domain: a versatile mediator of polo-like kinase function.Polo -box 结构域：多用途 Polo 样激酶功能介体。

Cell Mol Life Sci. 2010 Jun;67(12):1957-70. doi: 10.1007/s00018-010-0279-9. Epub 2010 Feb 11.

Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1.靶向polo样激酶1的polo盒结构域的最小磷酸肽的结构与功能分析

Nat Struct Mol Biol. 2009 Aug;16(8):876-82. doi: 10.1038/nsmb.1628. Epub 2009 Jul 13.

Crystallography and protein-protein interactions: biological interfaces and crystal contacts.晶体学与蛋白质-蛋白质相互作用：生物界面与晶体接触

Biochem Soc Trans. 2008 Dec;36(Pt 6):1438-41. doi: 10.1042/BST0361438.

Principles of protein-protein interactions: what are the preferred ways for proteins to interact?蛋白质-蛋白质相互作用的原理：蛋白质相互作用的优选方式有哪些？

Chem Rev. 2008 Apr;108(4):1225-44. doi: 10.1021/cr040409x. Epub 2008 Mar 21.

Reaching for high-hanging fruit in drug discovery at protein-protein interfaces.在蛋白质-蛋白质相互作用界面的药物研发中摘取高挂的果实。

Nature. 2007 Dec 13;450(7172):1001-9. doi: 10.1038/nature06526.

Transient pockets on protein surfaces involved in protein-protein interaction.参与蛋白质-蛋白质相互作用的蛋白质表面的瞬时口袋。

J Med Chem. 2007 Jul 26;50(15):3457-64. doi: 10.1021/jm070095g. Epub 2007 Jun 30.

Proteomic screen defines the Polo-box domain interactome and identifies Rock2 as a Plk1 substrate.蛋白质组学筛选确定了Polo盒结构域相互作用组并将Rock2鉴定为Plk1底物。

EMBO J. 2007 May 2;26(9):2262-73. doi: 10.1038/sj.emboj.7601683. Epub 2007 Apr 19.

Molecular and structural basis of polo-like kinase 1 substrate recognition: Implications in centrosomal localization.polo样激酶1底物识别的分子与结构基础：对中心体定位的影响

Proc Natl Acad Sci U S A. 2007 Feb 27;104(9):3107-12. doi: 10.1073/pnas.0609131104. Epub 2007 Feb 16.

Macromolecular recognition in the Protein Data Bank.蛋白质数据库中的大分子识别。

Acta Crystallogr D Biol Crystallogr. 2007 Jan;63(Pt 1):1-8. doi: 10.1107/S090744490603575X. Epub 2006 Dec 13.

Self-regulated Plk1 recruitment to kinetochores by the Plk1-PBIP1 interaction is critical for proper chromosome segregation.通过Plk1-PBIP1相互作用将Plk1自调控募集到动粒对于正确的染色体分离至关重要。

Mol Cell. 2006 Nov 3;24(3):409-22. doi: 10.1016/j.molcel.2006.10.016.

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

From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1.

作者信息

机构信息

出版信息

相似文献

引用本文的文献

本文引用的文献

文献AI研究员

用中文搜PubMed

文档翻译

Suppr 超能文献

相似文献

引用本文的文献

本文引用的文献