Discovery of Tyrosine Kinase Inhibitors by Docking into an Inactive Kinase Conformation Generated by Molecular Dynamics

Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036

(2011) Wayne W. Chan et al.   CANCER CELL

Crystal structure of the EphA4 protein tyrosine kinase domain in the apo- and dasatinib-bound state

(2011) Carine Farenc et al.   FEBS LETTERS

Selectivity of Kinase Inhibitor Fragments

(2011) Paul Bamborough et al.   JOURNAL OF MEDICINAL CHEMISTRY

Shielded Hydrogen Bonds as Structural Determinants of Binding Kinetics: Application in Drug Design

(2011) Peter Schmidtke et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Comprehensive analysis of kinase inhibitor selectivity

(2011) Mindy I Davis et al.   NATURE BIOTECHNOLOGY

Hydrogen Bonding Penalty upon Ligand Binding

(2011) Hongtao Zhao et al.   PLoS One

Predicting Inactive Conformations of Protein Kinases Using Active Structures: Conformational Selection of Type-II Inhibitors

(2011) Min Xu et al.   PLoS One

Targeting Eph receptors with peptides and small molecules: Progress and challenges

(2011) Roberta Noberini et al.   SEMINARS IN CELL & DEVELOPMENTAL BIOLOGY

The Free Energy Landscape of Small Molecule Unbinding

(2011) Danzhi Huang et al.   PLoS Computational Biology

The small molecule specific EphB4 kinase inhibitor NVP-BHG712 inhibits VEGF driven angiogenesis

(2010) Georg Martiny-Baron et al.   ANGIOGENESIS

Activation State-Dependent Binding of Small Molecule Kinase Inhibitors: Structural Insights from Biochemistry

(2010) Lisa M. Wodicka et al.   CHEMISTRY & BIOLOGY

Development of Novel, Highly Potent Inhibitors of V-RAF Murine Sarcoma Viral Oncogene Homologue B1 (BRAF): Increasing Cellular Potency through Optimization of a Distal Heteroaromatic Group

(2010) Bart M. J. M. Suijkerbuijk et al.   JOURNAL OF MEDICINAL CHEMISTRY

The (un)targeted cancer kinome

(2010) Oleg Fedorov et al.   Nature Chemical Biology

Imidazo[1,2-a]pyrazine diaryl ureas: Inhibitors of the receptor tyrosine kinase EphB4

(2009) Scott A. Mitchell et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

N3-Arylmalonamides: A new series of thieno[3,2-b]pyridine based inhibitors of c-Met and VEGFR2 tyrosine kinases

(2009) Oscar Saavedra et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Discovery and structural analysis of Eph receptor tyrosine kinase inhibitors

(2009) Yongmun Choi et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

CHARMM: The biomolecular simulation program

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

Pyridoimidazolones as Novel Potent Inhibitors of v-Raf Murine Sarcoma Viral Oncogene Homologue B1 (BRAF)

(2009) Dan Niculescu-Duvaz et al.   JOURNAL OF MEDICINAL CHEMISTRY

Novel Potent BRAF Inhibitors: Toward 1 nM Compounds through Optimization of the Central Phenyl Ring

(2009) Delphine Ménard et al.   JOURNAL OF MEDICINAL CHEMISTRY

9-(Arenethenyl)purines as Dual Src/Abl Kinase Inhibitors Targeting the Inactive Conformation: Design, Synthesis, and Biological Evaluation

(2009) Wei-Sheng Huang et al.   JOURNAL OF MEDICINAL CHEMISTRY

Through the “Gatekeeper Door”: Exploiting the Active Kinase Conformation

(2009) Fabio Zuccotto et al.   JOURNAL OF MEDICINAL CHEMISTRY

Sequence and Structure Signatures of Cancer Mutation Hotspots in Protein Kinases

(2009) Anshuman Dixit et al.   PLoS One

Discovery of orally active pyrrolopyridine- and aminopyridine-based Met kinase inhibitors

(2008) Zhen-Wei Cai et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Type-II Kinase Inhibitor Docking, Screening, and Profiling Using Modified Structures of Active Kinase States

(2008) Irina Kufareva et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of Kinase Inhibitors by High-Throughput Docking and Scoring Based on a Transferable Linear Interaction Energy Model

(2008) Peter Kolb et al.   JOURNAL OF MEDICINAL CHEMISTRY

A quantitative analysis of kinase inhibitor selectivity

(2008) Mazen W Karaman et al.   NATURE BIOTECHNOLOGY

Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3)

(2008) Tara L. Davis et al.   STRUCTURE

Identification of aminopyrazolopyridine ureas as potent VEGFR/PDGFR multitargeted kinase inhibitors

(2007) Yujia Dai et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Structure activity relationships of quinoline-containing c-Met inhibitors

(2007) Pei-Pei Kung et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY