Articles - 2c5y mentioned but not cited (2)
- PDB-Explorer: a web-based interactive map of the protein data bank in shape space. Jin X, Awale M, Zasso M, Kostro D, Patiny L, Reymond JL. BMC Bioinformatics 16 339 (2015)
- Protein surface characterization using an invariant descriptor. Abu Deeb Z, Adjeroh DA, Jiang BH. Int J Biomed Imaging 2011 918978 (2011)
Reviews citing this publication (1)
- Ligand discovery and virtual screening using the program LIDAEUS. Taylor P, Blackburn E, Sheng YG, Harding S, Hsin KY, Kan D, Shave S, Walkinshaw MD. Br. J. Pharmacol. 153 Suppl 1 S55-67 (2008)
Articles citing this publication (22)
- On the relation between residue flexibility and local solvent accessibility in proteins. Zhang H, Zhang T, Chen K, Shen S, Ruan J, Kurgan L. Proteins 76 617-636 (2009)
- A kinetic test characterizes kinase intramolecular and intermolecular autophosphorylation mechanisms. Dodson CA, Yeoh S, Haq T, Bayliss R. Sci Signal 6 ra54 (2013)
- Reduced stability and increased dynamics in the human proliferating cell nuclear antigen (PCNA) relative to the yeast homolog. De Biasio A, Sánchez R, Prieto J, Villate M, Campos-Olivas R, Blanco FJ. PLoS ONE 6 e16600 (2011)
- 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 77 199-205 (2011)
- Development of a novel fluorescent probe for fluorescence correlation spectroscopic detection of kinase inhibitors. Kawaguchi M, Terai T, Utata R, Kato M, Tsuganezawa K, Tanaka A, Kojima H, Okabe T, Nagano T. Bioorg. Med. Chem. Lett. 18 3752-3755 (2008)
- Truncation and optimisation of peptide inhibitors of cyclin-dependent kinase 2-cyclin a through structure-guided design. Kontopidis G, Andrews MJ, McInnes C, Plater A, Innes L, Renachowski S, Cowan A, Fischer PM. ChemMedChem 4 1120-1128 (2009)
- Catch the kinase conformer. McInnes C, Mezna M, Kontopidis G. Chem. Biol. 13 693-694 (2006)
- Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines. Hylsová M, Carbain B, Fanfrlík J, Musilová L, Haldar S, Köprülüoğlu C, Ajani H, Ajani H, Brahmkshatriya PS, Jorda R, Kryštof V, Hobza P, Echalier A, Paruch K, Lepšík M. Eur J Med Chem 126 1118-1128 (2017)
- Redefining the Protein Kinase Conformational Space with Machine Learning. Ung PM, Rahman R, Schlessinger A. Cell Chem Biol 25 916-924.e2 (2018)
- Evaluating the enthalpic contribution to ligand binding using QM calculations: effect of methodology on geometries and interaction energies. Gleeson D, Tehan B, Gleeson MP, Limtrakul J. Org. Biomol. Chem. 10 7053-7061 (2012)
- NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin. Melo-Hanchuk TD, Slepicka PF, Meirelles GV, Basei FL, Lovato DV, Granato DC, Pauletti BA, Domingues RR, Leme AFP, Pelegrini AL, Lenz G, Knapp S, Elkins JM, Kobarg J. Sci Rep 7 5445 (2017)
- Polyphony: superposition independent methods for ensemble-based drug discovery. Pitt WR, Montalvão RW, Blundell TL. BMC Bioinformatics 15 324 (2014)
- Structural Basis of the Interaction of Cyclin-Dependent Kinase 2 with Roscovitine and Its Analogues Having Bioisosteric Central Heterocycles. Nekardová M, Vymětalová L, Khirsariya P, Kováčová S, Hylsová M, Jorda R, Kryštof V, Fanfrlík J, Hobza P, Paruch K. Chemphyschem 18 785-795 (2017)
- Evaluation of protein-ligand affinity prediction using steered molecular dynamics simulations. Okimoto N, Suenaga A, Taiji M. J. Biomol. Struct. Dyn. 35 3221-3231 (2017)
- Role of interactions and volume variation in discriminating active and inactive forms of cyclin-dependent kinase-2 inhibitor complexes. Saranya N, Selvaraj S. Chem Biol Drug Des 78 361-369 (2011)
- Synthesis, biological evaluation, and in silico studies of new CDK2 inhibitors based on pyrazolo[3,4-d]pyrimidine and pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine scaffold with apoptotic activity. Mandour AA, Nassar IF, Abdel Aal MT, Shahin MAE, El-Sayed WA, Hegazy M, Yehia AM, Ismail A, Hagras M, Elkaeed EB, Refaat HM, Ismail NSM. J Enzyme Inhib Med Chem 37 1957-1973 (2022)
- CDK Inhibition Primes for Anti-PD-L1 Treatment in Triple-Negative Breast Cancer Models. Cheung A, Chenoweth AM, Quist J, Sow HS, Malaktou C, Ferro R, Hoffmann RM, Osborn G, Sachouli E, French E, Marlow R, Lacy KE, Papa S, Grigoriadis A, Karagiannis SN. Cancers (Basel) 14 3361 (2022)
- Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2. Vester K, Metz A, Huber S, Loll B, Wahl MC. Acta Crystallogr D Struct Biol 79 304-317 (2023)
- Discovery of New Pyrazolopyridine, Furopyridine, and Pyridine Derivatives as CDK2 Inhibitors: Design, Synthesis, Docking Studies, and Anti-Proliferative Activity. Abdel-Rahman AA, Shaban AKF, Nassar IF, El-Kady DS, Ismail NSM, Mahmoud SF, Awad HM, El-Sayed WA. Molecules 26 3923 (2021)
- Discovery of pyrazolo[3,4-d]pyrimidine and pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine derivatives as novel CDK2 inhibitors: synthesis, biological and molecular modeling investigations. Nassar IF, Abdel Aal MT, El-Sayed WA, A E Shahin M, Elsakka EGE, Mokhtar MM, Hegazy M, Hagras M, Mandour AA, Ismail NSM. RSC Adv 12 14865-14882 (2022)
- Identification of Novel 2,4,5-Trisubstituted Pyrimidines as Potent Dual Inhibitors of Plasmodial PfGSK3/PfPK6 with Activity against Blood Stage Parasites In Vitro. Galal KA, Truong A, Kwarcinski F, de Silva C, Avalani K, Havener TM, Chirgwin ME, Merten E, Ong HW, Willis C, Abdelwaly A, Helal MA, Derbyshire ER, Zutshi R, Drewry DH. J Med Chem 65 13172-13197 (2022)
- Imidazo[1,2-c]pyrimidin-5(6H)-one as a novel core of cyclin-dependent kinase 2 inhibitors: Synthesis, activity measurement, docking, and quantum mechanical scoring. Ajani H, Jansa J, Köprülüoğlu C, Hobza P, Kryštof V, Lyčka A, Lepsik M. J. Mol. Recognit. 31 e2720 (2018)