Molecular dynamics simulations of the conformational plasticity in the active pocket of salt-inducible kinase 2 (SIK2) multi-state binding with bosutinib-Reference-Cited by-同舟云学术

Molecular dynamics simulations of the conformational plasticity in the active pocket of salt-inducible kinase 2 (SIK2) multi-state binding with bosutinib

Published:2022 Issue: Volume:20 Page:2574-2586
ISSN:2001-0370
Container-title:Computational and Structural Biotechnology Journal
language:en
Short-container-title:Computational and Structural Biotechnology Journal

Author:

Shi Mingsong,Wang Lun,Liu Kongjun,Chen Yong,Hu Mengshi,Yang Linyu,He Jun,Chen Lijuan,Xu Dingguo

Funder

National Natural Science Foundation of China

West China Hospital, Sichuan University

Sichuan University

Publisher

Elsevier BV

Subject

Computer Science Applications,Genetics,Biochemistry,Structural Biology,Biophysics,Biotechnology

Reference114 articles.

1. The eukaryotic protein kinase superfamily: kinase (catalytic) domain structure and classification;Hanks;Faseb J,1995

2. Recent kinase and kinase inhibitor X-ray structures: Mechanisms of inhibition and selectivity insights;Cherry;Curr Med Chem,2004

3. Activation mechanism of the MAP kinase ERK2 by dual phosphorylation;Canagarajah;Cell,1997

4. Activation mechanism of CDK2: Role of cyclin binding versus phosphorylation;Stevenson;Biochemistry,2002

5. The structures of the kinasc domain and UBA domain of MPK38 suggest the activation mechanism for kinase activity;Cha;Acta Crystallogr Sect A,2015

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Selectivity Mechanism of Pyrrolopyridone Analogues Targeting Bromodomain 2 of Bromodomain-Containing Protein 4 from Molecular Dynamics Simulations;ACS Omega;2023-09-06

2. Identification of abemaciclib derivatives targeting cyclin-dependent kinase 4 and 6 using molecular dynamics, binding free energy calculation, synthesis, and pharmacological evaluation;Frontiers in Pharmacology;2023-05-10

3. Interactions between curcumin and human salt-induced kinase 3 elucidated from computational tools and experimental methods;Frontiers in Pharmacology;2023-04-13

4. Structural Insights into the Interactions of Belumosudil with Rho-Associated Coiled-Coil Containing Protein Kinases 1 and 2 Based on Molecular Docking, Molecular Dynamics Simulations, and Free Energy Calculations;Journal of Computational Biophysics and Chemistry;2023-01-28

5. Identification of defactinib derivatives targeting focal adhesion kinase using ensemble docking, molecular dynamics simulations and binding free energy calculations;Journal of Biomolecular Structure and Dynamics;2022-10-25