Computational studies of anaplastic lymphoma kinase mutations reveal common mechanisms of oncogenic activation

Protein Hydration Waters are Susceptible to Unfavorable Perturbations

(2019) Nicholas B Rego et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Defining a new nomenclature for the structures of active and inactive kinases

(2019) Vivek Modi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

An unbiased in vitro screen for activating epidermal growth factor receptor mutations

(2019) Deepankar Chakroborty et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Computational algorithms for in silico profiling of activating mutations in cancer

(2019) E. Joseph Jordan et al.   CELLULAR AND MOLECULAR LIFE SCIENCES

Modelling Conformational Flexibility of Kinases in Inactive States

(2019) Dominik Schwarz et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Leveraging protein dynamics to identify cancer mutational hotspots using 3D structures

(2019) Sushant Kumar et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The function and therapeutic targeting of anaplastic lymphoma kinase (ALK) in non-small cell lung cancer (NSCLC)

(2018) Brandon Golding et al.   Molecular Cancer

Small molecule inhibitors targeting the EGFR/ErbB family of protein-tyrosine kinases in human cancers

(2018) Robert Roskoski   PHARMACOLOGICAL RESEARCH

Novel Mechanisms of ALK Activation Revealed by Analysis of the Y1278S Neuroblastoma Mutation

(2017) Jikui Guan et al.   Cancers

Dual Characteristics of Novel HER2 Kinase Domain Mutations in Response to HER2-Targeted Therapies in Human Breast Cancer

(2016) W.-J. Zuo et al.   CLINICAL CANCER RESEARCH

Conformational Selection and Induced Fit Mechanisms in the Binding of an Anticancer Drug to the c-Src Kinase

(2016) Maria Agnese Morando et al.   Scientific Reports

Therapeutic Targeting of Anaplastic Lymphoma Kinase in Lung Cancer: A Paradigm for Precision Cancer Medicine

(2015) R. Katayama et al.   CLINICAL CANCER RESEARCH

Computational Study of the “DFG-Flip” Conformational Transition in c-Abl and c-Src Tyrosine Kinases

(2015) Yilin Meng et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The ALK/ROS1 Inhibitor PF-06463922 Overcomes Primary Resistance to Crizotinib in ALK-Driven Neuroblastoma

(2015) N. R. Infarinato et al.   Cancer Discovery

ALK Mutations Confer Differential Oncogenic Activation and Sensitivity to ALK Inhibition Therapy in Neuroblastoma

(2014) Scott C. Bresler et al.   CANCER CELL

XSEDE: Accelerating Scientific Discovery

(2014) John Towns et al.   COMPUTING IN SCIENCE & ENGINEERING

Conformational Analysis of the DFG-Out Kinase Motif and Biochemical Profiling of Structurally Validated Type II Inhibitors

(2014) R. S. K. Vijayan et al.   JOURNAL OF MEDICINAL CHEMISTRY

How does conformational flexibility influence key structural features involved in activation of anaplastic lymphoma kinase?

(2014) Tatyana G. Karabencheva et al.   Molecular BioSystems

COSMIC: exploring the world's knowledge of somatic mutations in human cancer

(2014) Simon A. Forbes et al.   NUCLEIC ACIDS RESEARCH

Activation pathway of Src kinase reveals intermediate states as targets for drug design

(2014) Diwakar Shukla et al.   Nature Communications

The genetic landscape of high-risk neuroblastoma

(2013) Trevor J Pugh et al.   NATURE GENETICS

The quest to overcome resistance to EGFR-targeted therapies in cancer

(2013) Curtis R Chong et al.   NATURE MEDICINE

Explaining why Gleevec is a specific and potent inhibitor of Abl kinase

(2013) Y.-L. Lin et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Effects of oncogenic mutations on the conformational free-energy landscape of EGFR kinase

(2013) L. Sutto et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

“DFG-Flip” in the Insulin Receptor Kinase Is Facilitated by a Helical Intermediate State of the Activation Loop

(2012) Harish Vashisth et al.   BIOPHYSICAL JOURNAL

Bayesian prediction of bacterial growth temperature range based on genome sequences

(2012) Dan B Jensen et al.   BMC GENOMICS

Oncogenic Mutations Counteract Intrinsic Disorder in the EGFR Kinase and Promote Receptor Dimerization

(2012) Yibing Shan et al.   CELL

The Different Flexibility of c-Src and c-Abl Kinases Regulates the Accessibility of a Druggable Inactive Conformation

(2012) Silvia Lovera et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Targeting ALK in neuroblastoma—preclinical and clinical advancements

(2012) Erica L. Carpenter et al.   Nature Reviews Clinical Oncology

Activating HER2 Mutations in HER2 Gene Amplification Negative Breast Cancer

(2012) Ron Bose et al.   Cancer Discovery

High ALK Receptor Tyrosine Kinase Expression Supersedes ALK Mutation as a Determining Factor of an Unfavorable Phenotype in Primary Neuroblastoma

(2011) J. H. Schulte et al.   CLINICAL CANCER RESEARCH

Predicting the functional impact of protein mutations: application to cancer genomics

(2011) Boris Reva et al.   NUCLEIC ACIDS RESEARCH

Differential Inhibitor Sensitivity of Anaplastic Lymphoma Kinase Variants Found in Neuroblastoma

(2011) S. C. Bresler et al.   Science Translational Medicine

Analysis of Somatic Mutations in Cancer: Molecular Mechanisms of Activation in the ErbB Family of Receptor Tyrosine Kinases

(2011) Andrew J. Shih et al.   Cancers

Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain

(2010) Christian C. Lee et al.   BIOCHEMICAL JOURNAL

A method and server for predicting damaging missense mutations

(2010) Ivan A Adzhubei et al.   NATURE METHODS

ErbB3/HER3 intracellular domain is competent to bind ATP and catalyze autophosphorylation

(2010) Fumin Shi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

Inhibition of ALK Signaling for Cancer Therapy

(2009) Y. P. Mosse et al.   CLINICAL CANCER RESEARCH

The D816V Mutation of c-Kit Circumvents a Requirement for Src Family Kinases in c-Kit Signal Transduction

(2009) Jianmin Sun et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Mislocalized Activation of Oncogenic RTKs Switches Downstream Signaling Outcomes

(2009) Chunaram Choudhary et al.   MOLECULAR CELL

Sequence and Structure Signatures of Cancer Mutation Hotspots in Protein Kinases

(2009) Anshuman Dixit et al.   PLoS One

Protein Conformational Transitions: The Closure Mechanism of a Kinase Explored by Atomistic Simulations

(2008) Anna Berteotti et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular Basis of Inactive B-RAFWTand B-RAFV600ELigand Inhibition, Selectivity and Conformational Stability: Anin SilicoStudy

(2008) Filip Fratev et al.   MOLECULAR PHARMACEUTICS

Identification of ALK as a major familial neuroblastoma predisposition gene

(2008) Yaël P. Mossé et al.   NATURE

Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

(2008) Alessandro Barducci et al.   PHYSICAL REVIEW LETTERS

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

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

Src Kinase Conformational Activation: Thermodynamics, Pathways, and Mechanisms

(2008) Sichun Yang et al.   PLoS Computational Biology