Density functional theory (DFT) calculations were carried out to study the molecular mechanism of the phosphoryl transfer reaction catalyzed by cyclin-dependent kinases (CDKs). The DFT study presented here shows that CDKs catalyze the phosphoryl transfer reaction from ATP to the serine substrate through a single step mechanism with a S(N)2-like transition state.
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Pfizer Global Res & Dev, Ann Arbor Labs, Dept Med Chem, Ann Arbor, MI 48105 USAPfizer Global Res & Dev, Ann Arbor Labs, Dept Med Chem, Ann Arbor, MI 48105 USA
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St Vincents Hosp, Garvan Inst Med Res, Canc Res Program, Sydney, NSW 2010, AustraliaSt Vincents Hosp, Garvan Inst Med Res, Canc Res Program, Sydney, NSW 2010, Australia
Musgrove, EA
Swarbrick, A
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St Vincents Hosp, Garvan Inst Med Res, Canc Res Program, Sydney, NSW 2010, AustraliaSt Vincents Hosp, Garvan Inst Med Res, Canc Res Program, Sydney, NSW 2010, Australia
Swarbrick, A
Lee, CSL
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St Vincents Hosp, Garvan Inst Med Res, Canc Res Program, Sydney, NSW 2010, AustraliaSt Vincents Hosp, Garvan Inst Med Res, Canc Res Program, Sydney, NSW 2010, Australia
Lee, CSL
Cornish, AL
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St Vincents Hosp, Garvan Inst Med Res, Canc Res Program, Sydney, NSW 2010, AustraliaSt Vincents Hosp, Garvan Inst Med Res, Canc Res Program, Sydney, NSW 2010, Australia
Cornish, AL
Sutherland, RL
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St Vincents Hosp, Garvan Inst Med Res, Canc Res Program, Sydney, NSW 2010, AustraliaSt Vincents Hosp, Garvan Inst Med Res, Canc Res Program, Sydney, NSW 2010, Australia