Predicting Allosteric Effects from Orthosteric Binding in Hsp90-Ligand Interactions: Implications for Fragment-Based Drug Design

HDX reveals unique fragment ligands for the vitamin D receptor

(2014) Matthew W. Carson et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Active Site Coupling in PDE:PKA Complexes Promotes Resetting of Mammalian cAMP Signaling

(2014) Srinath Krishnamurthy et al.   BIOPHYSICAL JOURNAL

Dynamic protein ligand interactions - insights from MS

(2014) Carla Schmidt et al.   FEBS Journal

The ensemble nature of allostery

(2014) Hesam N. Motlagh et al.   NATURE

Unraveling structural mechanisms of allosteric drug action

(2014) Ruth Nussinov et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Architecture of a dsDNA Viral Capsid in Complex with Its Maturation Protease

(2013) David Veesler et al.   STRUCTURE

Mass spectrometry based tools to investigate protein–ligand interactions for drug discovery

(2012) Kamila J. Pacholarz et al.   CHEMICAL SOCIETY REVIEWS

Experiences in fragment-based drug discovery

(2012) Christopher W. Murray et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Efficiency of hit generation and structural characterization in fragment-based ligand discovery

(2011) Andreas Larsson et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

How Well Can Fragments Explore Accessed Chemical Space? A Case Study from Heat Shock Protein 90

(2011) Stephen D. Roughley et al.   JOURNAL OF MEDICINAL CHEMISTRY

Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis

(2011) Ewald Edink et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency

(2010) Christopher W. Murray et al.   JOURNAL OF MEDICINAL CHEMISTRY

Cyclic AMP Analog Blocks Kinase Activation by Stabilizing Inactive Conformation: Conformational Selection Highlights a New Concept in Allosteric Inhibitor Design

(2010) Suguna Badireddy et al.   MOLECULAR & CELLULAR PROTEOMICS

Combining Hit Identification Strategies: Fragment-Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-d]pyrimidine Inhibitors of the Hsp90 Molecular Chaperone

(2009) Paul A. Brough et al.   JOURNAL OF MEDICINAL CHEMISTRY

The role of dynamic conformational ensembles in biomolecular recognition

(2009) David D Boehr et al.   Nature Chemical Biology

Dynamic energy landscape view of coupled binding and protein conformational change: Induced-fit versus population-shift mechanisms

(2008) K.-i. Okazaki et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Allostery and cooperativity revisited

(2008) Qiang Cui et al.   PROTEIN SCIENCE