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Dynamics of human protein kinases linked to drug selectivity

https://doi.org/10.1101/286310
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Aurora kinase inhibitors as anticancer molecules
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7-(Pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine-based derivatives for kinase inhibition: Co-crystallisation studies with Aurora-A reveal distinct differences in the orientation of the pyrazole N1-substituent
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Characterization of a highly selective inhibitor of the Aurora kinases
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Ins and Outs of Kinase DFG Motifs
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A comprehensive review on Aurora kinase: Small molecule inhibitors and clinical trial studies
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Current applications of 19F NMR to studies of protein structure and dynamics
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c-Src Binds to the Cancer Drug Imatinib with an Inactive Abl/c-Kit Conformation and a Distributed Thermodynamic Penalty
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Dynamics-Driven Allostery in Protein Kinases
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Chapter 23 Fitting Enzyme Kinetic Data with KinTek Global Kinetic Explorer
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Structures of the Cancer-Related Aurora-A, FAK, and EphA2 Protein Kinases from Nanovolume Crystallography
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Structural Basis of Aurora-A Activation by TPX2 at the Mitotic Spindle
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Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening
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A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A
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The Different Flexibility of c-Src and c-Abl Kinases Regulates the Accessibility of a Druggable Inactive Conformation
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1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazoles: Identification of a Potent Aurora Kinase Inhibitor with a Favorable Antitumor Kinase Inhibition Profile
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Fragment-Based Discovery of the Pyrazol-4-yl Urea (AT9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity
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Computational Study of the “DFG-Flip” Conformational Transition in c-Abl and c-Src Tyrosine Kinases
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Rational design of inhibitors that bind to inactive kinase conformations
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Improved low-resolution crystallographic refinement with Phenix and Rosetta
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Aurora-A — A guardian of poles
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The drug–target residence time model: a 10-year retrospective
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Drug–target residence time and its implications for lead optimization
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Protein kinases — the major drug targets of the twenty-first century?
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The druggable genome
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Energetic dissection of Gleevec's selectivity toward human tyrosine kinases
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Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2
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Simple and inexpensive incorporation of 19F-Tryptophan for protein NMR spectroscopy
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inferredcites →https://doi.org/10.1074/jbc.c200426200openalex-snapshot
Crystal Structure of Aurora-2, an Oncogenic Serine/Threonine Kinase
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Solution Conformations and Dynamics of ABL Kinase-Inhibitor Complexes Determined by NMR Substantiate the Different Binding Modes of Imatinib/Nilotinib and Dasatinib
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Allosteric inhibition of Aurora-A kinase by a synthetic vNAR domain
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Evolution of the eukaryotic protein kinases as dynamic molecular switches
inferredcites →https://doi.org/10.1107/s0021889807021206openalex-snapshot
Phaser crystallographic software
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xia2 : an expert system for macromolecular crystallography data reduction
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Coot : model-building tools for molecular graphics
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MolProbity : all-atom structure validation for macromolecular crystallography
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XDS
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PHENIX : a comprehensive Python-based system for macromolecular structure solution
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Features and development of Coot
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Overview of the CCP 4 suite and current developments
inferredcites →https://doi.org/10.1107/s0907444910048675openalex-snapshot
iMOSFLM: a new graphical interface for diffraction-image processing withMOSFLM
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Towards automated crystallographic structure refinement with phenix.refine
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How good are my data and what is the resolution?
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ACHESYM: an algorithm and server for standardized placement of macromolecular models in the unit cell
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CheckMyMetal : a macromolecular metal-binding validation tool
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Modulation of kinase‐inhibitor interactions by auxiliary protein binding: Crystallography studies on Aurora A interactions with VX‐680 and with TPX2
inferredcites →https://doi.org/10.1110/ps.9.9.1818openalex-snapshot
Insights into nucleotide binding in protein kinase A using fluorescent adenosine derivatives
inferredcites →https://doi.org/10.1111/febs.14069openalex-snapshot
Switching Aurora‐A kinase on and off at an allosteric site
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Structural Mechanism for STI-571 Inhibition of Abelson Tyrosine Kinase
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Using ancient protein kinases to unravel a modern cancer drug’s mechanism
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Imatinib: A Breakthrough of Targeted Therapy in Cancer
inferredcites →https://doi.org/10.1158/1078-0432.ccr-06-1405openalex-snapshot
Aurora Kinases: New Targets for Cancer Therapy
inferredcites →https://doi.org/10.1158/1078-0432.ccr-07-2179openalex-snapshot
Aurora Kinases as Anticancer Drug Targets
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Targeting Aurora Kinases with Danusertib (PHA-739358) Inhibits Growth of Liver Metastases from Gastroenteropancreatic Neuroendocrine Tumors in an Orthotopic Xenograft Model
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PHA-739358, a potent inhibitor of Aurora kinases with a selective target inhibition profile relevant to cancer
inferredcites →https://doi.org/10.1158/1541-7786.mcr-06-0208openalex-snapshot
Roles of Aurora Kinases in Mitosis and Tumorigenesis
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Phase I Pharmacokinetic and Pharmacodynamic Study of the Aurora Kinase Inhibitor Danusertib in Patients With Advanced or Metastatic Solid Tumors
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Specificity Rendering ‘Hot-Spots’ for Aurora Kinase Inhibitor Design: The Role of Non-Covalent Interactions and Conformational Transitions
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Identification of small molecule inhibitors of the Aurora-A/TPX2 complex
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Structural Biology Insight for the Design of Sub-type Selective Aurora Kinase Inhibitors
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Tyrosine kinase AS - a common ancestor of Src and Abl bound to Gleevec
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Aurora Kinase Inhibitors: Current Status and Outlook
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Molecular mechanism of Aurora A kinase autophosphorylation and its allosteric activation by TPX2
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