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84891747699
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in preparation
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Lee, A. C. H.; Murugappan, S. R.; Poulsen, A.; Williams, M.; Blanchard, S.; Ma, D. M.; Bonday, Z.; Goh, K. L.; Goh, K. C.; Goh, M. K.; Wood, J. M.; Dymock, B. W. Bioorg. Med. Chem. Lett., in preparation.
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21244435590
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All computational chemistry software used is from Schrödinger. The PDK1 and CDK2 X-ray structures (1Z5M and 1AQ1, respectively) were downloaded from the Protein Data Bank (http://www.pdb.org) and prepared with the Protein Preparation Wizard as recommended by Schrodinger. Ligands were prepared with Ligprep and docked into the protein structures using Glide and the XP scoring function with standard settings. PDB entry 1Z5M
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All computational chemistry software used is from Schrödinger (http://www.schrodinger.com). The PDK1 and CDK2 X-ray structures (1Z5M and 1AQ1, respectively) were downloaded from the Protein Data Bank (http://www.pdb.org) and prepared with the Protein Preparation Wizard as recommended by Schrodinger. Ligands were prepared with Ligprep and docked into the protein structures using Glide and the XP scoring function with standard settings. PDB entry 1Z5M. Feldman, R. I.; Wu, J. M.; Polokoff, M. A.; Kochanny, M. J.; Dinter, H.; Zhu, D.; Biroc, S. L.; Alicke, B.; Bryant, J.; Yuan, S.; Buckman, B.; Lentz, D.; Ferrer, M.; Whitlow, M.; Adler, M.; Finster, S.; Chang, Z.; Arnaiz, D. O. J. Biol. Chem. 2005, 280, 19867.
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Lentz, D.12
Ferrer, M.13
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84862830460
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2O/0.02% Tween 20, air-dried and counted on a Wallac MicroBeta (Perkin-Elmer) scintillation counter
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2O/0.02% Tween 20, air-dried and counted on a Wallac MicroBeta (Perkin-Elmer) scintillation counter.
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16
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84862807098
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50 values from the data
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50 values from the data.
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17
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78249287240
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J. Tan, P.L. Lee, Z. Li, X. Jiang, Y.C. Lim, S.C. Hooi, and Q. Yu Cancer cell 18 2010 459
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