196 related articles for article (PubMed ID: 22926267)
1. A flexible-protein molecular docking study of the binding of ruthenium complex compounds to PIM1, GSK-3β, and CDK2/Cyclin A protein kinases.
Liu Y; Agrawal NJ; Radhakrishnan R
J Mol Model; 2013 Jan; 19(1):371-82. PubMed ID: 22926267
[TBL] [Abstract][Full Text] [Related]
2. Structure-based approaches to improve selectivity: CDK2-GSK3beta binding site analysis.
Vulpetti A; Crivori P; Cameron A; Bertrand J; Brasca MG; D'Alessio R; Pevarello P
J Chem Inf Model; 2005; 45(5):1282-90. PubMed ID: 16180905
[TBL] [Abstract][Full Text] [Related]
3. Molecular dynamics study of the inhibitory effects of ChEMBL474807 on the enzymes GSK-3β and CDK-2.
Czeleń P; Szefler B
J Mol Model; 2015 Apr; 21(4):74. PubMed ID: 25754137
[TBL] [Abstract][Full Text] [Related]
4. Structure of anticancer ruthenium half-sandwich complex bound to glycogen synthase kinase 3β.
Atilla-Gokcumen GE; Di Costanzo L; Meggers E
J Biol Inorg Chem; 2011 Jan; 16(1):45-50. PubMed ID: 20821241
[TBL] [Abstract][Full Text] [Related]
5. Molecular dynamics simulation studies of GSK-3β ATP competitive inhibitors: understanding the factors contributing to selectivity.
Arfeen M; Patel R; Khan T; Bharatam PV
J Biomol Struct Dyn; 2015; 33(12):2578-93. PubMed ID: 26209183
[TBL] [Abstract][Full Text] [Related]
6. Structure-based design of benzo[e]isoindole-1,3-dione derivatives as selective GSK-3β inhibitors to activate Wnt/β-catenin pathway.
Yue H; Lu F; Shen C; Quan JM
Bioorg Chem; 2015 Aug; 61():21-7. PubMed ID: 26057861
[TBL] [Abstract][Full Text] [Related]
7. Design, synthesis and biological evaluation of N-alkyl or aryl substituted isoindigo derivatives as potential dual cyclin-dependent kinase 2 (CDK2)/glycogen synthase kinase 3β (GSK-3β) phosphorylation inhibitors.
Zhao P; Li Y; Gao G; Wang S; Yan Y; Zhan X; Liu Z; Mao Z; Chen S; Wang L
Eur J Med Chem; 2014 Oct; 86():165-74. PubMed ID: 25151579
[TBL] [Abstract][Full Text] [Related]
8. Binding of BIS like and other ligands with the GSK-3β kinase: a combined docking and MM-PBSA study.
Jena NR
J Mol Model; 2012 Feb; 18(2):631-44. PubMed ID: 21559963
[TBL] [Abstract][Full Text] [Related]
9. Alternative binding modes of an inhibitor to two different kinases.
De Moliner E; Brown NR; Johnson LN
Eur J Biochem; 2003 Aug; 270(15):3174-81. PubMed ID: 12869192
[TBL] [Abstract][Full Text] [Related]
10. Structural features underlying selective inhibition of GSK3β by dibromocantharelline: implications for rational drug design.
Zhang N; Zhong R; Yan H; Jiang Y
Chem Biol Drug Des; 2011 Mar; 77(3):199-205. PubMed ID: 21244636
[TBL] [Abstract][Full Text] [Related]
11. Structural characterization of the GSK-3beta active site using selective and non-selective ATP-mimetic inhibitors.
Bertrand JA; Thieffine S; Vulpetti A; Cristiani C; Valsasina B; Knapp S; Kalisz HM; Flocco M
J Mol Biol; 2003 Oct; 333(2):393-407. PubMed ID: 14529625
[TBL] [Abstract][Full Text] [Related]
12. Extra precision docking, free energy calculation and molecular dynamics simulation studies of CDK2 inhibitors.
Tripathi SK; Muttineni R; Singh SK
J Theor Biol; 2013 Oct; 334():87-100. PubMed ID: 23727278
[TBL] [Abstract][Full Text] [Related]
13. The Effect of Conformational Flexibility on Binding Free Energy Estimation between Kinases and Their Inhibitors.
Araki M; Kamiya N; Sato M; Nakatsui M; Hirokawa T; Okuno Y
J Chem Inf Model; 2016 Dec; 56(12):2445-2456. PubMed ID: 28024406
[TBL] [Abstract][Full Text] [Related]
14. Homology modeling and molecular dynamics study of GSK3/SHAGGY-like kinase.
Xiao JF; Li ZS; Sun M; Zhang Y; Sun CC
Comput Biol Chem; 2004 Jul; 28(3):179-88. PubMed ID: 15261148
[TBL] [Abstract][Full Text] [Related]
15. Specific Conformational Dynamics and Expansion Underpin a Multi-Step Mechanism for Specific Binding of p27 with Cdk2/Cyclin A.
Tsytlonok M; Hemmen K; Hamilton G; Kolimi N; Felekyan S; Seidel CAM; Tompa P; Sanabria H
J Mol Biol; 2020 Apr; 432(9):2998-3017. PubMed ID: 32088186
[TBL] [Abstract][Full Text] [Related]
16. Structural basis for the GSK-3beta binding affinity and selectivity against CDK-2 of 1-(4-aminofurazan-3yl)-5-dialkylaminomethyl-1H-[1,2,3] triazole-4-carboxylic acid derivatives.
Pande V; Ramos MJ
Bioorg Med Chem Lett; 2005 Dec; 15(23):5129-35. PubMed ID: 16213715
[TBL] [Abstract][Full Text] [Related]
17. The design of novel inhibitors for treating cancer by targeting CDC25B through disruption of CDC25B-CDK2/Cyclin A interaction using computational approaches.
Li HL; Ma Y; Ma Y; Li Y; Chen XB; Dong WL; Wang RL
Oncotarget; 2017 May; 8(20):33225-33240. PubMed ID: 28402259
[TBL] [Abstract][Full Text] [Related]
18. Accurate Prediction of Complex Structure and Affinity for a Flexible Protein Receptor and Its Inhibitor.
Bekker GJ; Kamiya N; Araki M; Fukuda I; Okuno Y; Nakamura H
J Chem Theory Comput; 2017 Jun; 13(6):2389-2399. PubMed ID: 28482660
[TBL] [Abstract][Full Text] [Related]
19. Assessing an ensemble docking-based virtual screening strategy for kinase targets by considering protein flexibility.
Tian S; Sun H; Pan P; Li D; Zhen X; Li Y; Hou T
J Chem Inf Model; 2014 Oct; 54(10):2664-79. PubMed ID: 25233367
[TBL] [Abstract][Full Text] [Related]
20. Protein conformational transitions coupled to binding in molecular recognition of unstructured proteins: deciphering the effect of intermolecular interactions on computational structure prediction of the p27Kip1 protein bound to the cyclin A-cyclin-dependent kinase 2 complex.
Verkhivker GM
Proteins; 2005 Feb; 58(3):706-16. PubMed ID: 15609350
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
