Insights into the binding mode of MEK type-III inhibitors. A step towards discovering and designing allosteric kinase inhibitors across the human kinome

Drug repurposing to target Ebola virus replication and virulence using structural systems pharmacology

(2016) Zheng Zhao et al.   BMC BIOINFORMATICS

Small-molecule kinase inhibitors: an analysis of FDA-approved drugs

(2016) Peng Wu et al.   DRUG DISCOVERY TODAY

Role of Molecular Dynamics and Related Methods in Drug Discovery

(2016) Marco De Vivo et al.   JOURNAL OF MEDICINAL CHEMISTRY

Delineation of Polypharmacology across the Human Structural Kinome Using a Functional Site Interaction Fingerprint Approach

(2016) Zheng Zhao et al.   JOURNAL OF MEDICINAL CHEMISTRY

Overcoming EGFR(T790M) and EGFR(C797S) resistance with mutant-selective allosteric inhibitors

(2016) Yong Jia et al.   NATURE

Classification of small molecule protein kinase inhibitors based upon the structures of their drug-enzyme complexes

(2016) Robert Roskoski   PHARMACOLOGICAL RESEARCH

Cobimetinib: First Global Approval

(2015) Karly P. Garnock-Jones   DRUGS

The ins and outs of selective kinase inhibitor development

(2015) Susanne Müller et al.   Nature Chemical Biology

Kinase inhibitors and monoclonal antibodies in oncology: clinical implications

(2015) Helen Gharwan et al.   Nature Reviews Clinical Oncology

JPred4: a protein secondary structure prediction server

(2015) Alexey Drozdetskiy et al.   NUCLEIC ACIDS RESEARCH

KLIFS: a structural kinase-ligand interaction database

(2015) Albert J. Kooistra et al.   NUCLEIC ACIDS RESEARCH

The EMBL-EBI bioinformatics web and programmatic tools framework

(2015) Weizhong Li et al.   NUCLEIC ACIDS RESEARCH

Allosteric small-molecule kinase inhibitors

(2015) Peng Wu et al.   PHARMACOLOGY & THERAPEUTICS

Exploration of Type II Binding Mode: A Privileged Approach for Kinase Inhibitor Focused Drug Discovery?

(2014) Zheng Zhao et al.   ACS Chemical Biology

Investigation of the Flexibility of Protein Kinases Implicated in the Pathology of Alzheimer’s Disease

(2014) Michael Mazanetz et al.   MOLECULES

Dynamic architecture of a protein kinase

(2014) C. L. McClendon et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Advances in kinase targeting: current clinical use and clinical trials

(2014) Mathias Rask-Andersen et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Mechanism of MEK inhibition determines efficacy in mutant KRAS- versus BRAF-driven cancers

(2013) Georgia Hatzivassiliou et al.   NATURE

Selective Targeting of Distinct Active Site Nucleophiles by Irreversible Src-Family Kinase Inhibitors

(2012) Nathan N. Gushwa et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Novel Carboxamide-Based Allosteric MEK Inhibitors: Discovery and Optimization Efforts toward XL518 (GDC-0973)

(2012) Kenneth D. Rice et al.   ACS Medicinal Chemistry Letters

MEK1/2 dual-specificity protein kinases: Structure and regulation

(2011) Robert Roskoski   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

First-in-Man Clinical Trial of the Oral Pan-AKT Inhibitor MK-2206 in Patients With Advanced Solid Tumors

(2011) Timothy A. Yap et al.   JOURNAL OF CLINICAL ONCOLOGY

Crystal structures of MKK4 kinase domain reveal that substrate peptide binds to an allosteric site and induces an auto-inhibition state

(2010) Takashi Matsumoto et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

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

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

A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discovery

(2009) L. Xie et al.   BIOINFORMATICS

ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale

(2009) M. J. Harvey et al.   Journal of Chemical Theory and Computation

CHARMM: The biomolecular simulation program

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

Structure and allosteric effects of low-molecular-weight activators on the protein kinase PDK1

(2009) Valerie Hindie et al.   Nature Chemical Biology

Kinase mutations in human disease: interpreting genotype–phenotype relationships

(2009) Piya Lahiry et al.   NATURE REVIEWS GENETICS

Detecting evolutionary relationships across existing fold space, using sequence order-independent profile-profile alignments

(2008) L. Xie et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA