Harnessing Allostery: A Novel Approach to Drug Discovery

PARS: a web server for the prediction of Protein Allosteric and Regulatory Sites

(2014) Alejandro Panjkovich et al.   BIOINFORMATICS

A Novel Allosteric Inhibitor of the Uridine Diphosphate N-Acetylglucosamine Pyrophosphorylase from Trypanosoma brucei

(2013) Michael D. Urbaniak et al.   ACS Chemical Biology

Regulation of G Protein-Coupled Receptors by Allosteric Ligands

(2013) J. Robert Lane et al.   ACS Chemical Neuroscience

The Mechanism of Allosteric Coupling in Choline Kinase α1 Revealed by the Action of a Rationally Designed Inhibitor

(2013) María Sahún-Roncero et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Underappreciated Role of Allostery in the Cellular Network

(2013) Ruth Nussinov et al.   Annual Review of Biophysics

A structure-guided fragment-based approach for the discovery of allosteric inhibitors targeting the lipophilic binding site of transcription factor EthR

(2013) Sachin Surade et al.   BIOCHEMICAL JOURNAL

Functional selectivity of G-protein-coupled receptors: From recombinant systems to native human cells

(2013) Roland Seifert   BIOCHEMICAL PHARMACOLOGY

Identification of Regions of Rabbit Muscle Pyruvate Kinase Important for Allosteric Regulation by Phenylalanine, Detected by H/D Exchange Mass Spectrometry

(2013) Charulata B. Prasannan et al.   BIOCHEMISTRY

A broad view of scaffolding suggests that scaffolding proteins can actively control regulation and signaling of multienzyme complexes through allostery

(2013) Ruth Nussinov et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Allosite: a method for predicting allosteric sites

(2013) Wenkang Huang et al.   BIOINFORMATICS

Allostery in Disease and in Drug Discovery

(2013) Ruth Nussinov et al.   CELL

Kinase CK2 Inhibition: An Update

(2013) G. Cozza et al.   CURRENT MEDICINAL CHEMISTRY

Impact of Quaternary Structure Dynamics on Allosteric Drug Discovery

(2013) Eileen K. Jaffe   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Editorial (Hot Topic: From Allosteric Drugs to Allo-Network Drugs: State of the Art and Trends of Design, Synthesis and Computational Methods)

(2013) Peter Csermely et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Allo-Network Drugs: Extension of the Allosteric Drug Concept to Protein- Protein Interaction and Signaling Networks

(2013) Andras Szilagyi et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Allosteric Modulators for the Treatment of Schizophrenia: Targeting Glutamatergic Networks

(2013) Frank S. Menniti et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

ATP binding to human serine racemase is cooperative and modulated by glycine

(2013) Marialaura Marchetti et al.   FEBS Journal

Serine racemase: a key player in neuron activity and in neuropathologies

(2013) Andrea Mozzarelli   Frontiers in Bioscience-Landmark

γ-Secretase Modulator (GSM) Photoaffinity Probes Reveal Distinct Allosteric Binding Sites on Presenilin

(2013) Nikolay Pozdnyakov et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Identification of a New Binding Site in E. coli FabH using Molecular Dynamics Simulations: Validation by Computational Alanine Mutagenesis and Docking Studies

(2013) Divya Ramamoorthy et al.   Journal of Chemical Information and Modeling

Conformational Flexibility and Structural Dynamics in GPCR-Mediated G Protein Activation: A Perspective

(2013) Anita M. Preininger et al.   JOURNAL OF MOLECULAR BIOLOGY

Toward an understanding of the sequence and structural basis of allosteric proteins

(2013) Xiaobai Li et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Selective Detection of Allosteric Phosphatase Inhibitors

(2013) Ralf Schneider et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The PIM Family of Serine/Threonine Kinases in Cancer

(2013) Maja Narlik-Grassow et al.   MEDICINAL RESEARCH REVIEWS

K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions

(2013) Jonathan M. Ostrem et al.   NATURE

Systematic identification of allosteric protein-metabolite interactions that control enzyme activity in vivo

(2013) Hannes Link et al.   NATURE BIOTECHNOLOGY

Allosteric inhibition through suppression of transient conformational states

(2013) Shiou-Ru Tzeng et al.   Nature Chemical Biology

Covalent and allosteric inhibitors of the ATPase VCP/p97 induce cancer cell death

(2013) Paola Magnaghi et al.   Nature Chemical Biology

Emerging paradigms in GPCR allostery: implications for drug discovery

(2013) Denise Wootten et al.   NATURE REVIEWS DRUG DISCOVERY

Development of allosteric modulators of GPCRs for treatment of CNS disorders

(2013) Hilary Highfield Nickols et al.   NEUROBIOLOGY OF DISEASE

SPACER: server for predicting allosteric communication and effects of regulation

(2013) Alexander Goncearenco et al.   NUCLEIC ACIDS RESEARCH

ASD v2.0: updated content and novel features focusing on allosteric regulation

(2013) Zhimin Huang et al.   NUCLEIC ACIDS RESEARCH

MCPath: Monte Carlo path generation approach to predict likely allosteric pathways and functional residues

(2013) Cihan Kaya et al.   NUCLEIC ACIDS RESEARCH

The spatial structure of cell signaling systems

(2013) Ruth Nussinov   PHYSICAL BIOLOGY

Conformational Transition Pathway in the Activation Process of Allosteric Glucokinase

(2013) Min Huang et al.   PLoS One

NMR reveals the allosteric opening and closing of Abelson tyrosine kinase by ATP-site and myristoyl pocket inhibitors

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

Pepducin targeting the C-X-C chemokine receptor type 4 acts as a biased agonist favoring activation of the inhibitory G protein

(2013) J. Quoyer et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

How calcium inhibits the magnesium-dependent kinase gsk3β: A molecular simulation study

(2013) Shao-Yong Lu et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Structure of the CCR5 Chemokine Receptor-HIV Entry Inhibitor Maraviroc Complex

(2013) Q. Tan et al.   SCIENCE

Structural Features for Functional Selectivity at Serotonin Receptors

(2013) D. Wacker et al.   SCIENCE

Allosteric Conformational Barcodes Direct Signaling in the Cell

(2013) Ruth Nussinov et al.   STRUCTURE

Structural basis of AMPK regulation by small molecule activators

(2013) Bing Xiao et al.   Nature Communications

Deciphering the Structural Basis of Eukaryotic Protein Kinase Regulation

(2013) Hiruy S. Meharena et al.   PLOS BIOLOGY

Strategies for the Selective Regulation of Kinases with Allosteric Modulators: Exploiting Exclusive Structural Features

(2012) Zhizhou Fang et al.   ACS Chemical Biology

Molecular Alliance-From Orthosteric and Allosteric Ligands to Dualsteric/Bitopic Agonists at G Protein Coupled Receptors

(2012) Klaus Mohr et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Protein function and allostery: a dynamic relationship

(2012) Charalampos G. Kalodimos   Annals of the New York Academy of Sciences

Allostery and the Monod-Wyman-Changeux Model After 50 Years

(2012) Jean-Pierre Changeux   Annual Review of Biophysics

Emerging opportunities for allosteric modulation of G-protein coupled receptors

(2012) Ching-I. Anderson Wang et al.   BIOCHEMICAL PHARMACOLOGY

Fragment-Based Approaches in Drug Discovery and Chemical Biology

(2012) Duncan E. Scott et al.   BIOCHEMISTRY

Shedding light on protein–ligand binding by graph theory: The topological nature of allostery

(2012) Micol De Ruvo et al.   BIOPHYSICAL CHEMISTRY

Exploiting protein flexibility to predict the location of allosteric sites

(2012) Alejandro Panjkovich et al.   BMC BIOINFORMATICS

RAS/RAF/MEK Inhibitors in Oncology

(2012) M. Broggini   CURRENT MEDICINAL CHEMISTRY

The Different Ways through Which Specificity Works in Orthosteric and Allosteric Drugs

(2012) Ruth Nussinov et al.   CURRENT PHARMACEUTICAL DESIGN

New Directions in Targeting Protein Kinases: Focusing Upon True Allosteric and Bivalent Inhibitors

(2012) Vandana Lamba et al.   CURRENT PHARMACEUTICAL DESIGN

αC helix displacement as a general approach for allosteric modulation of protein kinases

(2012) Lorenzo Palmieri et al.   DRUG DISCOVERY TODAY

Identifying Allosteric Binding Sites in Proteins with a Two-State Go̅ Model for Novel Allosteric Effector Discovery

(2012) Yifei Qi et al.   Journal of Chemical Theory and Computation

Discovery and Optimization of a Series of 3-(3-Phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: Orally Bioavailable, Selective, and Potent ATP-Independent Akt Inhibitors

(2012) Mark A. Ashwell et al.   JOURNAL OF MEDICINAL CHEMISTRY

2-(3-Oxo-1,3-diphenylpropyl)malonic Acids as Potent Allosteric Ligands of the PIF Pocket of Phosphoinositide-Dependent Kinase-1: Development and Prodrug Concept

(2012) Adriana Wilhelm et al.   JOURNAL OF MEDICINAL CHEMISTRY

Binding Evaluation of Fragment-Based Scaffolds for Probing Allosteric Enzymes

(2012) Isabelle Krimm et al.   JOURNAL OF MEDICINAL CHEMISTRY

Design, Synthesis, and Pharmacological Evaluation of Bis-2-(5-phenylacetamido-1,2,4-thiadiazol-2-yl)ethyl Sulfide 3 (BPTES) Analogs as Glutaminase Inhibitors

(2012) Krupa Shukla et al.   JOURNAL OF MEDICINAL CHEMISTRY

Synthesis and Characterization of Novel 2-Amino-3-benzoylthiophene Derivatives as Biased Allosteric Agonists and Modulators of the Adenosine A1 Receptor

(2012) Celine Valant et al.   JOURNAL OF MEDICINAL CHEMISTRY

Toward understanding the molecular basis for chemical allosteric modulator design

(2012) Qi Wang et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Direct Binding Assay for the Detection of Type IV Allosteric Inhibitors of Abl

(2012) Ralf Schneider et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Looking for a sequence based allostery definition: A statistical journey at different resolution scales

(2012) Saritha Namboodiri et al.   JOURNAL OF THEORETICAL BIOLOGY

FMS Kinase Inhibitors: Current Status and Future Prospects

(2012) Mohammed I. El-Gamal et al.   MEDICINAL RESEARCH REVIEWS

Fragment Informatics and Computational Fragment-Based Drug Design: An Overview and Update

(2012) Chunquan Sheng et al.   MEDICINAL RESEARCH REVIEWS

Structure-Activity Relationships in the Development of Allosteric Hepatitis C Virus RNA-Dependent RNA Polymerase Inhibitors: Ten Years of Research

(2012) Romain Haudecoeur et al.   MEDICINAL RESEARCH REVIEWS

Functional Selectivity in GPCR Signaling: Understanding the Full Spectrum of Receptor Conformations

(2012) E. Goupil et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

A Class of Allosteric Caspase Inhibitors Identified by High-Throughput Screening

(2012) Taya Feldman et al.   MOLECULAR CELL

Protein activity regulation by conformational entropy

(2012) Shiou-Ru Tzeng et al.   NATURE

Functional selectivity induced by mGlu4 receptor positive allosteric modulation and concomitant activation of Gq coupled receptors

(2012) Shen Yin et al.   NEUROPHARMACOLOGY

Allosteric modulators of rhodopsin-like G protein-coupled receptors: Opportunities in drug development

(2012) Christa E. Müller et al.   PHARMACOLOGY & THERAPEUTICS

Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism

(2012) K. Thangavelu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Allosteric post-translational modification codes

(2012) Ruth Nussinov et al.   TRENDS IN BIOCHEMICAL SCIENCES

The allosteric vestibule of a seven transmembrane helical receptor controls G-protein coupling

(2012) Andreas Bock et al.   Nature Communications

Molecular Mechanism of Allosteric Communication in Hsp70 Revealed by Molecular Dynamics Simulations

(2012) Federica Chiappori et al.   PLoS Computational Biology

Rational Engineering of Enzyme Allosteric Regulation through Sequence Evolution Analysis

(2012) Jae-Seong Yang et al.   PLoS Computational Biology

Discovery of a Potential Allosteric Ligand Binding Site in CDK2

(2011) Stephane Betzi et al.   ACS Chemical Biology

Effect of double mutations K214/A–E215/Q of FRATide on GSK3β: insights from molecular dynamics simulation and normal mode analysis

(2011) Shao-Yong Lu et al.   AMINO ACIDS

Drugs for Allosteric Sites on Receptors

(2011) Cody J. Wenthur et al.   Annual Review of Pharmacology and Toxicology

Dynamic dissociating homo-oligomers and the control of protein function

(2011) Trevor Selwood et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Full-Length Human Glutaminase in Complex with an Allosteric Inhibitor

(2011) Byron DeLaBarre et al.   BIOCHEMISTRY

State-Dependent cAMP Binding to Functioning HCN Channels Studied by Patch-Clamp Fluorometry

(2011) Shengjun Wu et al.   BIOPHYSICAL JOURNAL

Mechanism of kinase inactivation and nonbinding of fratide to GSK3β due to K85M mutation: Molecular dynamics simulation and normal mode analysis

(2011) ShaoYong Lu et al.   BIOPOLYMERS

Identification of Specific Tethered Inhibitors for Caspase-5

(2011) Junjun Gao et al.   Chemical Biology & Drug Design

Drug Discovery Targeting Amino Acid Racemases

(2011) Paola Conti et al.   CHEMICAL REVIEWS

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

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

Molecular Modeling and Molecular Dynamics Simulation Studies of the GSK3β/ATP/Substrate Complex: Understanding the Unique P+4 Primed Phosphorylation Specificity for GSK3β Substrates

(2011) Shao-Yong Lu et al.   Journal of Chemical Information and Modeling

Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation

(2011) Fei Wang et al.   Journal of Chemical Information and Modeling

Role of bridging water molecules in GSK3β-inhibitor complexes: Insights from QM/MM, MD, and molecular docking studies

(2011) Shao-Yong Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

4-Benzimidazolyl-3-Phenylbutanoic Acids As Novel Pif-Pocket-Targeting Allosteric Inhibitors of Protein Kinase PKCζ

(2011) Wolfgang Fröhner et al.   JOURNAL OF MEDICINAL CHEMISTRY

Deconstruction of Non-Nucleoside Reverse Transcriptase Inhibitors of Human Immunodeficiency Virus Type 1 for Exploration of the Optimization Landscape of Fragments

(2011) Peter Brandt et al.   JOURNAL OF MEDICINAL CHEMISTRY

Non-Nucleoside Inhibitors of Human Adenosine Kinase: Synthesis, Molecular Modeling, and Biological Studies

(2011) Stefania Butini et al.   JOURNAL OF MEDICINAL CHEMISTRY

LIM kinases are attractive targets with many macromolecular partners and only a few small molecule regulators

(2011) Fabrizio Manetti   MEDICINAL RESEARCH REVIEWS

Vemurafenib

(2011) Keith. T Flaherty et al.   NATURE REVIEWS DRUG DISCOVERY

Impact of high-throughput screening in biomedical research

(2011) Ricardo Macarron et al.   NATURE REVIEWS DRUG DISCOVERY

Allosteric modulation of caspases

(2011) Hans-Georg Häcker et al.   PHARMACOLOGY & THERAPEUTICS

Dissection of the difference between the group I metal ions in inhibiting GSK3β: a computational study

(2011) Shao-Yong Lu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Novel Allosteric Sites on Ras for Lead Generation

(2011) Barry J. Grant et al.   PLoS One

Turning a protein kinase on or off from a single allosteric site via disulfide trapping

(2011) J. D. Sadowsky et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Allostery in pharmacology: Thermodynamics, evolution and design

(2011) Gábor Maksay   PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY

Coherent Conformational Degrees of Freedom as a Structural Basis for Allosteric Communication

(2011) Simon Mitternacht et al.   PLoS Computational Biology

Computational Modeling of Allosteric Communication Reveals Organizing Principles of Mutation-Induced Signaling in ABL and EGFR Kinases

(2011) Anshuman Dixit et al.   PLoS Computational Biology

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

(2011) Elodie Laine et al.   PLoS Computational Biology

Binding Leverage as a Molecular Basis for Allosteric Regulation

(2011) Simon Mitternacht et al.   PLoS Computational Biology

Allosteric Receptors: From Electric Organ to Cognition

(2010) Jean-Pierre Changeux   Annual Review of Pharmacology and Toxicology

Exploring and exploiting allostery: Models, evolution, and drug targeting

(2010) Alessio Peracchi et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Serotonin derivatives as a new class of non-ATP-competitive receptor tyrosine kinase inhibitors

(2010) Anita Büttner et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Contributions of Computational Chemistry and Biophysical Techniques to Fragment-Based Drug Discovery

(2010) Rafael Gozalbes et al.   CURRENT MEDICINAL CHEMISTRY

Allostery and population shift in drug discovery

(2010) Gozde Kar et al.   CURRENT OPINION IN PHARMACOLOGY

Protein dynamics and allostery: an NMR view

(2010) Shiou-Ru Tzeng et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

The Melanocortin-4 Receptor: Physiology, Pharmacology, and Pathophysiology

(2010) Ya-Xiong Tao   ENDOCRINE REVIEWS

Specific binding of photoaffinity-labeling peptidomimetics of Pro-Leu-Gly-NH2 to the dopamine D2L receptor: Evidence for the allosteric modulation of the dopamine receptor

(2010) Amandeep Mann et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

Numerous Classes of General Anesthetics Inhibit Etomidate Binding to γ-Aminobutyric Acid Type A (GABAA) Receptors

(2010) Guo-Dong Li et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Small Molecule AKAP-Protein Kinase A (PKA) Interaction Disruptors That Activate PKA Interfere with Compartmentalized cAMP Signaling in Cardiac Myocytes

(2010) Frank Christian et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Molecular docking and molecular dynamics simulation studies of GPR40 receptor–agonist interactions

(2010) Shao-Yong Lu et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Effects of the Allosteric Antagonist 1-(4-Chlorophenyl)-3-[3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl]urea (PSNCBAM-1) on CB1 Receptor Modulation in the Cerebellum

(2010) X. Wang et al.   MOLECULAR PHARMACOLOGY

Allosteric Ligands of the Glucagon-Like Peptide 1 Receptor (GLP-1R) Differentially Modulate Endogenous and Exogenous Peptide Responses in a Pathway-Selective Manner: Implications for Drug Screening

(2010) C. Koole et al.   MOLECULAR PHARMACOLOGY

Targeting Bcr–Abl by combining allosteric with ATP-binding-site inhibitors

(2010) Jianming Zhang et al.   NATURE

Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery

(2010) Wolfgang Jahnke et al.   Nature Chemical Biology

ASD: a comprehensive database of allosteric proteins and modulators

(2010) Z. Huang et al.   NUCLEIC ACIDS RESEARCH

Seven Transmembrane Receptors as Shapeshifting Proteins: The Impact of Allosteric Modulation and Functional Selectivity on New Drug Discovery

(2010) T. Kenakin et al.   PHARMACOLOGICAL REVIEWS

Crystal Structure of Human AKT1 with an Allosteric Inhibitor Reveals a New Mode of Kinase Inhibition

(2010) Wen-I Wu et al.   PLoS One

Induced fit, conformational selection and independent dynamic segments: an extended view of binding events

(2010) Peter Csermely et al.   TRENDS IN BIOCHEMICAL SCIENCES

Mechanisms of transcription factor selectivity

(2010) Yongping Pan et al.   TRENDS IN GENETICS

Calmodulin upregulates skeletal muscle 6-phosphofructo-1-kinase reversing the inhibitory effects of allosteric modulators

(2009) Monica M. Marinho-Carvalho et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Dissecting the role of mTOR: Lessons from mTOR inhibitors

(2009) Ryan J.O. Dowling et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

The design and optimization of a series of 2-(pyridin-2-yl)-1H-benzimidazole compounds as allosteric glucokinase activators

(2009) Keiji Takahashi et al.   BIOORGANIC & MEDICINAL CHEMISTRY

mTOR and cancer: many loops in one pathway

(2009) Alejo Efeyan et al.   CURRENT OPINION IN CELL BIOLOGY

Recent progress in fragment-based lead discovery

(2009) Michèle N Schulz et al.   CURRENT OPINION IN PHARMACOLOGY

From fragment to clinical candidate—a historical perspective

(2009) Gianni Chessari et al.   DRUG DISCOVERY TODAY

Development of a Fluorescent-Tagged Kinase Assay System for the Detection and Characterization of Allosteric Kinase Inhibitors

(2009) Jeffrey R. Simard et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dynamic activation of an allosteric regulatory protein

(2009) Shiou-Ru Tzeng et al.   NATURE

A new screening assay for allosteric inhibitors of cSrc

(2009) Jeffrey R Simard et al.   Nature Chemical Biology

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

(2009) Valerie Hindie et al.   Nature Chemical Biology

The role of dynamic conformational ensembles in biomolecular recognition

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

The rise of fragment-based drug discovery

(2009) Christopher W. Murray et al.   Nature Chemistry

Nicotinic receptors: allosteric transitions and therapeutic targets in the nervous system

(2009) Antoine Taly et al.   NATURE REVIEWS DRUG DISCOVERY

The nuts and bolts of AGC protein kinases

(2009) Laura R. Pearce et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Probing Allosteric Binding Sites of the Maize Endosperm ADP-Glucose Pyrophosphorylase

(2009) S. K. Boehlein et al.   PLANT PHYSIOLOGY

Lys169 of Human Glucokinase Is a Determinant for Glucose Phosphorylation: Implication for the Atomic Mechanism of Glucokinase Catalysis

(2009) Jian Zhang et al.   PLoS One

The Origin of Allosteric Functional Modulation: Multiple Pre-existing Pathways

(2009) Antonio del Sol et al.   STRUCTURE

Role of a Novel PH-Kinase Domain Interface in PKB/Akt Regulation: Structural Mechanism for Allosteric Inhibition

(2009) Véronique Calleja et al.   PLOS BIOLOGY

The design and synthesis of novel α-ketoamide-based p38 MAP kinase inhibitors

(2008) Antonio Garrido Montalban et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Development of thioquinazolinones, allosteric Chk1 kinase inhibitors

(2008) Antonella Converso et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

The CK2α/CK2β Interface of Human Protein Kinase CK2 Harbors a Binding Pocket for Small Molecules

(2008) Jennifer Raaf et al.   CHEMISTRY & BIOLOGY

Ligand efficiency and fragment-based drug discovery

(2008) Scott D. Bembenek et al.   DRUG DISCOVERY TODAY

The Synthesis of UDP-N-acetylglucosamine Is Essential for Bloodstream FormTrypanosoma brucei in Vitroandin Vivoand UDP-N-acetylglucosamine Starvation Reveals a Hierarchy in Parasite Protein Glycosylation

(2008) Matthew J. Stokes et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Design, Synthesis, and Biological Evaluation of Novel Aminobisphosphonates Possessing an in Vivo Antitumor Activity Through a γδ-T Lymphocytes-Mediated Activation Mechanism

(2008) Daniele Simoni et al.   JOURNAL OF MEDICINAL CHEMISTRY

Allostery: Absence of a Change in Shape Does Not Imply that Allostery Is Not at Play

(2008) Chung-Jung Tsai et al.   JOURNAL OF MOLECULAR BIOLOGY

G Protein Coupling and Signaling Pathway Activation by M1 Muscarinic Acetylcholine Receptor Orthosteric and Allosteric Agonists

(2008) R. L. Thomas et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

Allosteric regulation and catalysis emerge via a common route

(2008) Nina M Goodey et al.   Nature Chemical Biology

Allosteric modulators of GPCRs: a novel approach for the treatment of CNS disorders

(2008) P. Jeffrey Conn et al.   NATURE REVIEWS DRUG DISCOVERY

Allosteric effects in the marginally stable von Hippel-Lindau tumor suppressor protein and allostery-based rescue mutant design

(2008) J. Liu 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

Surface Sites for Engineering Allosteric Control in Proteins

(2008) J. Lee et al.   SCIENCE

Muscarinic acetylcholine receptors as CNS drug targets

(2007) Christopher J. Langmead et al.   PHARMACOLOGY & THERAPEUTICS