ReviewInternational journal of molecular sciences2015
Insights on Structural Characteristics and Ligand Binding Mechanisms of CDK2.
Review in International journal of molecular sciences, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 33 papers.
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Who cites it
33 citing papers in PubMed.
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- Machine Learning and Virtual Screening Methods to Discover Potential Cyclin-Dependent Kinase 2 (CDK2) Inhibitors.Pharmaceuticals (Basel, Switzerland) · 2026Article
- Crude Venom from Sea AnemoneMarine drugs · 2026Article
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- Targeting cyclin-dependent kinase 2 (CDK2) interactions with cyclins and Speedy 1 (Spy1) for cancer and male contraception.Future medicinal chemistry · 2025Review
- Cyclin Dependent Kinases in Antiviral Drug Discovery.Current medicinal chemistry · 2025Review
- Design, synthesis, and anticancer evaluation of novel coumarin/thiazole congeners as potential CDK2 inhibitors with molecular dynamics.RSC advances · 2024Article
- Validation of Core Ingredients and Molecular Mechanism of Cinobufotalin Injection Against Liver Cancer.Drug design, development and therapy · 2024Article
- Novel benzo chromene derivatives: design, synthesis, molecular docking, cell cycle arrest, and apoptosis induction in human acute myeloid leukemia HL-60 cells.Journal of enzyme inhibition and medicinal chemistry · 2023Article
- Design, Synthesis, In Vitro, and In Silico Studies of NewPharmaceuticals (Basel, Switzerland) · 2023Article
- Synthesis and In Vitro Anticancer Activity of Novel 4-Aryl-3-(4-methoxyphenyl)-1-phenyl-1Molecules (Basel, Switzerland) · 2023Article
- Synthesis, biological evaluation, andJournal of enzyme inhibition and medicinal chemistry · 2022Article
- FMR1NB Involved in Glioma Tumorigenesis Is a Promising Target for Prognosis and Therapy.Current medical science · 2022Article
- Synthesis and Evaluation of Some New 4Pharmaceuticals (Basel, Switzerland) · 2022Article
- Inhibition of the CDK2 and Cyclin A complex leads to autophagic degradation of CDK2 in cancer cells.Nature communications · 2022Article
- Discovery of pyrazolo[3,4-RSC advances · 2022Article
- Combined Free-Energy Calculation and Machine Learning Methods for Understanding Ligand Unbinding Kinetics.Journal of chemical theory and computation · 2022Article
- Non-metabolic function of MTHFD2 activates CDK2 in bladder cancer.Cancer science · 2021Article
- Novel pyrrolizines bearing 3,4,5-trimethoxyphenyl moiety: design, synthesis, molecular docking, and biological evaluation as potential multi-target cytotoxic agents.Journal of enzyme inhibition and medicinal chemistry · 2021Article
Corrections and comments
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Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Cyclin-dependent kinase 2 (CDK2) is a crucial regulator of the eukaryotic cell cycle. However it is well established that monomeric CDK2 lacks regulatory activity, which needs to be aroused by its positive regulators, cyclins E and A, or be phosphorylated on the catalytic segment. Interestingly, these activation steps bring some dynamic changes on the 3D-structure of the kinase, especially the activation segment. Until now, in the monomeric CDK2 structure, three binding sites have been reported, including the adenosine triphosphate (ATP) binding site (Site I) and two non-competitive binding sites (Site II and III). In addition, when the kinase is subjected to the cyclin binding process, the resulting structural changes give rise to a variation of the ATP binding site, thus generating an allosteric binding site (Site IV). All the four sites are demonstrated as being targeted by corresponding inhibitors, as is illustrated by the allosteric binding one which is targeted by inhibitor ANS (fluorophore 8-anilino-1-naphthalene sulfonate). In the present work, the binding mechanisms and their fluctuations during the activation process attract our attention. Therefore, we carry out corresponding studies on the structural characterization of CDK2, which are expected to facilitate the understanding of the molecular mechanisms of kinase proteins. Besides, the binding mechanisms of CDK2 with its relevant inhibitors, as well as the changes of binding mechanisms following conformational variations of CDK2, are summarized and compared. The summary of the conformational characteristics and ligand binding mechanisms of CDK2 in the present work will improve our understanding of the molecular mechanisms regulating the bioactivities of CDK2.
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