Mutation D816V Alters the Internal Structure and Dynamics of c-KIT Receptor Cytoplasmic Region: Implications for Dimerization and Activation Mechanisms

Activation of the Edema Factor of Bacillus anthracis by Calmodulin: Evidence of an Interplay between the EF-Calmodulin Interaction and Calcium Binding

(2010) Elodie Laine et al.   BIOPHYSICAL JOURNAL

Cell Signaling by Receptor Tyrosine Kinases

(2010) Mark A. Lemmon et al.   CELL

Large conformational changes in proteins: signaling and other functions

(2010) Barry J Grant et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Function of activation loop tyrosine phosphorylation in the mechanism of c-Kit auto-activation and its implication in sunitinib resistance

(2010) J. P. DiNitto et al.   JOURNAL OF BIOCHEMISTRY

Molecular Dynamics Simulations Show That Conformational Selection Governs the Binding Preferences of Imatinib for Several Tyrosine Kinases

(2010) Alexey Aleksandrov et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Molecular Dynamics Simulations and Elastic Network Analysis of Protein Kinase B (Akt/PKB) Inactivation

(2010) Shu Cheng et al.   Journal of Chemical Information and Modeling

Asymmetric tyrosine kinase arrangements in activation or autophosphorylation of receptor tyrosine kinases

(2010) Jae Hyun Bae et al.   MOLECULES AND CELLS

Consensus modes, a robust description of protein collective motions from multiple-minima normal mode analysis—application to the HIV-1 protease

(2010) Paulo Ricardo Batista et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Use of allostery to identify inhibitors of calmodulin-induced activation of Bacillus anthracis edema factor

(2010) E. Laine et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Asymmetric receptor contact is required for tyrosine autophosphorylation of fibroblast growth factor receptor in living cells

(2010) J. H. Bae et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Pathogenesis, classification and treatment of mastocytosis: state of the art in 2010 and future perspectives

(2010) Michel Arock et al.   Expert Review of Hematology

New Insights into the Activation of Escherichia coli Tyrosine Kinase Revealed by Molecular Dynamics Simulation and Biochemical Analysis

(2009) Tian Lu et al.   BIOCHEMISTRY

The Crystal Structure of BRAF in Complex with an Organoruthenium Inhibitor Reveals a Mechanism for Inhibition of an Active Form of BRAF Kinase

(2009) Peng Xie et al.   BIOCHEMISTRY

Computational Modeling of Structurally Conserved Cancer Mutations in the RET and MET Kinases: The Impact on Protein Structure, Dynamics, and Stability

(2009) Anshuman Dixit et al.   BIOPHYSICAL JOURNAL

Fpocket: An open source platform for ligand pocket detection

(2009) Vincent Le Guilloux et al.   BMC BIOINFORMATICS

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Ectodomain orientation, conformational plasticity and oligomerization of ErbB1 receptors investigated by molecular dynamics

(2009) Johannes Kästner et al.   JOURNAL OF STRUCTURAL BIOLOGY

The Aberrant Localization of Oncogenic Kit Tyrosine Kinase Receptor Mutants Is Reversed on Specific Inhibitory Treatment

(2009) H. Bougherara et al.   MOLECULAR CANCER RESEARCH

Mechanisms of secondary resistance to tyrosine kinase inhibitors in gastrointestinal stromal tumours (Review)

(2009) Maleddu   ONCOLOGY REPORTS

Sequence and Structure Signatures of Cancer Mutation Hotspots in Protein Kinases

(2009) Anshuman Dixit et al.   PLoS One

The intrinsic dynamics of enzymes plays a dominant role in determining the structural changes induced upon inhibitor binding

(2009) A. Bakan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients

(2009) K. S. Gajiwala et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Trapping Moving Targets with Small Molecules

(2009) G. M. Lee et al.   SCIENCE

Hierarchical Modeling of Activation Mechanisms in the ABL and EGFR Kinase Domains: Thermodynamic and Mechanistic Catalysts of Kinase Activation by Cancer Mutations

(2009) Anshuman Dixit et al.   PLoS Computational Biology

Solution Conformations and Dynamics of ABL Kinase-Inhibitor Complexes Determined by NMR Substantiate the Different Binding Modes of Imatinib/Nilotinib and Dasatinib

(2008) Navratna Vajpai et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Protein−Ligand Docking Accounting for Receptor Side Chain and Global Flexibility in Normal Modes: Evaluation on Kinase Inhibitor Cross Docking

(2008) Andreas May et al.   JOURNAL OF MEDICINAL CHEMISTRY

Collective motions in Glucosamine-6-phosphate Synthase: Influence of Ligand Binding and role in Ammonia Channelling and Opening of the Fructose-6-Phosphate Binding Site

(2008) Nicolas Floquet et al.   JOURNAL OF MOLECULAR BIOLOGY

Induced Disorder in Protein–Ligand Complexes as a Drug-Design Strategy

(2008) Alejandro Crespo et al.   MOLECULAR PHARMACEUTICS

The RosettaDock server for local protein-protein docking

(2008) S. Lyskov et al.   NUCLEIC ACIDS RESEARCH

A helix scaffold for the assembly of active protein kinases

(2008) A. P. Kornev et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The conformational plasticity of calmodulin upon calcium complexation gives a model of its interaction with the oedema factor of Bacillus anthracis

(2008) Elodie Laine et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Detailed conformational dynamics of juxtamembrane region and activation loop in c-Kit kinase activation process

(2008) Jun Zou et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Flexibility and charge asymmetry in the activation loop of Src tyrosine kinases

(2008) Nilesh K. Banavali et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS