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CK2α is a ubiquitous, well-studied kinase that is a target for small-molecule inhibition, for treatment of cancers. While many different classes of adenosine 5'-triphosphate (ATP)-competitive inhibitors have been described for...

Adenosine Triphosphate Allosteric Regulation Allosteric Site Binding Competitive Casein Kinase II Crystallography X-Ray Deuterium Exchange Measurement Humans Ligands Molecular Dynamics Simulation Naphthyridines Nuclear Magnetic Resonance Biomolecular Phenazines Protein Binding Protein Kinase Inhibitors Recombinant Proteins

Entner-Doudoroff Pathway Pseudomonas Pseudomonas aeruginosa PykA X-ray crystallography allostery bacterial metabolism Glycolysis pentose phosphate pathway (PPP) Pyruvate Kinase Allosteric Regulation Allosteric Site Bacterial Proteins Catalytic Domain Glucose-6-Phosphate Isoenzymes Models Molecular pentose phosphate pathway Pseudomonas aeruginosa Pyruvate Kinase

The Ras family of small guanine nucleotide-binding proteins behave as molecular switches: they are switched off and inactive when bound to GDP but can be activated by GTP binding in response to signal transduction pathways....

NMR spectroscopy allostery dynamics small G proteins Allosteric Site Guanine Nucleotide Exchange Factors Guanosine Diphosphate Guanosine Triphosphate Monomeric GTP-Binding Proteins Mutation Protein Binding Protein Domains Protein Structure Secondary Signal Transduction

CP-376395 CRF1R GPCR metadynamics Molecular dynamics translational non-crystallographic symmetry Allosteric Site Aminopyridines Binding Sites Crystallography X-Ray Humans Molecular Dynamics Simulation Protein Conformation Receptors Corticotropin-Releasing Hormone

Coenzyme A (CoA) is a fundamental co-factor for all life, involved in numerous metabolic pathways and cellular processes, and its biosynthetic pathway has raised substantial interest as a drug target against multiple pathogens...

Allosteric Regulation Allosteric Site Antitubercular Agents Bacterial Proteins Carboxy-Lyases Coenzyme A Crystallography X-Ray Enzyme Assays Gene Knockdown Techniques High-Throughput Screening Assays Humans Microbial Sensitivity Tests Mycobacterium smegmatis Mycobacterium tuberculosis Peptide Synthases Tuberculosis

Neurotransmitter-gated ion channels are allosteric proteins that switch on and off in response to agonist binding. Most studies have focused on the agonist-bound, activated channel while assigning a lesser role to the apo or...

X-ray crystallography Alternative Splicing Atomic force microscopy channel gating Electrophysiology Ion channel ionotropic glutamate receptor Patch clamp protein conformations synapse Allosteric Regulation Allosteric Site Alternative Splicing Animals cerebellum Cryoelectron Microscopy Crystallography X-Ray HEK293 Cells Humans Ion Channel Gating Membrane Proteins Mice Microscopy Atomic Force Patch-Clamp Techniques Protein Domains Protein Isoforms Protein Structure Quaternary Protein Structure Tertiary Purkinje Cells Receptors AMPA

BACKGROUND: Aurora A (AurA) kinase is a key mitotic protein implicated in cancer. Several small molecule inhibitors targeting the ATP binding site of this enzyme are in various stages of clinical development. However, these...

AURKA AurA-TPX2 inhibition Aurora A TPX2 allosteric inhibition Kinase inhibitors proteinprotein interaction type IV inhibitors. Allosteric Regulation Allosteric Site Anacardic Acids Aurora Kinase A Cell Cycle Proteins Cell Line Tumor Felodipine Humans Microtubule-Associated Proteins Nuclear Proteins Protein Binding Protein Kinase Inhibitors

BACKGROUND: Structure-based drug design is an iterative process, following cycles of structural biology, computer-aided design, synthetic chemistry and bioassay. In favorable circumstances, this process can lead to the...

Algorithms Allosteric Site Computational Biology Crystallography X-Ray Cyclin-Dependent Kinase 2 Drug Design Drug Discovery Ligands Mitogen-Activated Protein Kinase 14 Molecular Dynamics Simulation Phosphorylation Protein Conformation