Protein-Ligand Interactions: High-Resolution Structures of CDK2

Walter   Filgueira   de Azevedo
[1] 
Morgan DO. Principles of CDK regulation. Nature  1995; 374(6518): 13-4.
[http://dx.doi.org/10.1038/374131a0] [PMID:  7877684] 
[2] 
Murray AW. Cyclin-dependent kinases: Regulators of the cell cycle and more. Chem Biol  1994; 1(4): 191-5.
[http://dx.doi.org/10.1016/1074-5521(94)90009-4] [PMID:  9383389] 
[3] 
De Bondt HL, Rosenblatt J, Jancarik J, Jones HD, Morgan DO, Kim SH. Crystal structure of cyclin-dependent kinase 2. Nature  1993; 363(6430): 595-602.
[http://dx.doi.org/10.1038/363595a0] [PMID:  8510751] 
[4] 
Kim SH, Schulze-Gahmen U, Brandsen J, de Azevedo Júnior WF. Structural basis for chemical inhibition of CDK2. Prog Cell Cycle Res  1996; 2: 137-45.
[http://dx.doi.org/10.1007/978-1-4615-5873-6_14] [PMID:  9552391] 
[5] 
De Azevedo WF Jr, Mueller-Dieckmann HJ, Schulze-Gahmen U, Worland PJ, Sausville E, Kim SH. Structural basis for specificity and potency of a flavonoid inhibitor of human CDK2, a cell cycle kinase. Proc Natl Acad Sci USA  1996; 93(7): 2735-40.
[http://dx.doi.org/10.1073/pnas.93.7.2735] [PMID:  8610110] 
[6] 
De Azevedo WF, Leclerc S, Meijer L, Havlicek L, Strnad M, Kim SH. Inhibition of cyclin-dependent kinases by purine analogues: Crystal structure of human cdk2 complexed with roscovitine. Eur J Biochem  1997; 243(1-2): 518-26.
[http://dx.doi.org/10.1111/j.1432-1033.1997.0518a.x] [PMID:  9030780] 
[7] 
de Azevedo WF. Opinion paper: targeting multiple cyclin-dependent kinases (CDKs): a new strategy for molecular docking studies. Curr Drug Targets  2016; 17(1): 2.
[http://dx.doi.org/10.2174/138945011701151217100907] [PMID:  26687602] 
[8] 
Levin NMB, Pintro VO, de Avila MB, de Mattos BB, De Azevedo WF Jr. Understanding the structural basis for inhibition of cyclin-dependent kinases. new pieces in the molecular puzzle. Curr Drug Targets  2017; 18(9): 1104-11.
[http://dx.doi.org/10.2174/1389450118666161116130155] [PMID:  27848884] 
[9] 
Volkart PA, Bitencourt-Ferreira G, Souto AA, de Azevedo WF. Cyclin-dependent kinase 2 in cellular senescence and cancer. A structural and functional review. Curr Drug Targets  2019; 20(7): 716-26.
[http://dx.doi.org/10.2174/1389450120666181204165344] [PMID:  30516105] 
[10] 
Veit-Acosta M, de Azevedo Junior WF. The impact of crystallographic data for the development of machine learning models to predict protein-ligand binding affinity. Curr Med Chem  2021; 28(34): 7002-6.
[http://dx.doi.org/10.2174/0929867328666210210121320] [PMID:  33568025] 
[11] 
Brylinski M. Nonlinear scoring functions for similarity-based ligand docking and binding affinity prediction. J Chem Inf Model  2013; 53(11): 3097-112.
[http://dx.doi.org/10.1021/ci400510e] [PMID:  24171431] 
[12] 
de Ávila MB, Xavier MM, Pintro VO, de Azevedo WF Jr. Supervised machine learning techniques to predict binding affinity. A study for cyclin-dependent kinase 2. Biochem Biophys Res Commun  2017; 494(1-2): 305-10.
[http://dx.doi.org/10.1016/j.bbrc.2017.10.035] [PMID:  29017921] 
[13] 
Levin NMB, Pintro VO, Bitencourt-Ferreira G, de Mattos BB, de Castro Silvério A, de Azevedo WF Jr. Development of CDK-targeted scoring functions for prediction of binding affinity. Biophys Chem  2018; 235: 1-8.
[http://dx.doi.org/10.1016/j.bpc.2018.01.004] [PMID:  29407904] 
[14] 
Bitencourt-Ferreira G, Duarte da Silva A, Filgueira de Azevedo W Jr. Application of machine learning techniques to predict binding affinity for drug targets: a study of cyclin-dependent kinase 2. Curr Med Chem  2021; 28(2): 253-65.
[http://dx.doi.org/10.2174/2213275912666191102162959] [PMID:  31729287] 
[15] 
Veit-Acosta M, de Azevedo Junior WF. Computational prediction of binding affinity for cdk2-ligand complexes. a protein target for cancer drug discovery. Curr Med Chem 2021.
[http://dx.doi.org/10.2174/0929867328666210806105810] [PMID:  34365938] 
Cite As
Current Drug Targets

Protein-Ligand Interactions: High-Resolution Structures of CDK2
