Protein kinase biochemistry and drug discovery
PA Schwartz, BW Murray - Bioorganic chemistry, 2011 - Elsevier
Protein kinases are fascinating biological catalysts with a rapidly expanding knowledge
base, a growing appreciation in cell regulatory control, and an ascendant role in successful …
base, a growing appreciation in cell regulatory control, and an ascendant role in successful …
Magnesium increases insulin-dependent glucose uptake in adipocytes
Background Type 2 diabetes (T2D) is characterized by a decreased insulin sensitivity.
Magnesium (Mg2+) deficiency is common in people with T2D. However, the molecular …
Magnesium (Mg2+) deficiency is common in people with T2D. However, the molecular …
Phosphorylation reaction in cAPK protein kinase-free energy quantum mechanical/molecular mechanics simulations
We present results of a theoretical analysis of the phosphorylation reaction in cAMP-
dependent protein kinase using a combined quantum mechanical and molecular mechanics …
dependent protein kinase using a combined quantum mechanical and molecular mechanics …
A conserved non-canonical motif in the pseudoactive site of the ROP5 pseudokinase domain mediates its effect on Toxoplasma virulence
The ROP5 family is a closely related set of polymorphic pseudokinases that are critical to the
ability of Toxoplasma to cause disease. Polymorphisms in ROP5 also make it a major …
ability of Toxoplasma to cause disease. Polymorphisms in ROP5 also make it a major …
A Transition Path Ensemble Study Reveals a Linchpin Role for Mg2+ during Rate-Limiting ADP Release from Protein Kinase A
Protein kinases are key regulators of diverse signaling networks critical for growth and
development. Protein kinase A (PKA) is an important kinase prototype that phosphorylates …
development. Protein kinase A (PKA) is an important kinase prototype that phosphorylates …
Computational study of the phosphoryl transfer catalyzed by a cyclin‐dependent kinase
A cyclin‐dependent kinase, Cdk2, catalyzes the transfer of the γ‐phosphate from ATP to a
threonine or serine residue of its polypeptide substrates. Here, we investigate aspects of the …
threonine or serine residue of its polypeptide substrates. Here, we investigate aspects of the …
Insights into the phosphoryl transfer mechanism of cyclin-dependent protein kinases from ab initio QM/MM free-energy studies
Phosphorylation reactions catalyzed by kinases and phosphatases play an indispensible
role in cellular signaling, and their malfunctioning is implicated in many diseases. A better …
role in cellular signaling, and their malfunctioning is implicated in many diseases. A better …
Role of Mg2+ ions in protein kinase phosphorylation: insights from molecular dynamics simulations of ATP-kinase complexes
L Yu, L Xu, M Xu, B Wan, L Yu, Q Huang - Molecular Simulation, 2011 - Taylor & Francis
Phosphorylation of protein kinases (PKs) plays a central role in the signal transduction of
cells by transferring a phosphate group from adenosine triphosphate (ATP) to the side …
cells by transferring a phosphate group from adenosine triphosphate (ATP) to the side …
Statistics of cellular signal transduction as a race to the nucleus by multiple random walkers in compartment/phosphorylation space
Cellular signal transduction often involves a reaction network of phosphorylation and
transport events arranged with a ladder topology. If we keep track of the location of the …
transport events arranged with a ladder topology. If we keep track of the location of the …
Physical nature of intermolecular interactions within cAMP-dependent protein kinase active site: differential transition state stabilization in phosphoryl transfer reaction
P Szarek, E Dyguda-Kazimierowicz… - The journal of …, 2008 - ACS Publications
The origin of enzyme catalytic activity may be effectively explored within the nonempirical
theory of intermolecular interactions. The knowledge of electrostatic, exchange …
theory of intermolecular interactions. The knowledge of electrostatic, exchange …