(Q38211688)

31 August 2017

title

Harnessing allostery: a novel approach to drug discovery (English)

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31 August 2017

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Shaoyong Lu

1

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31 August 2017

Shuai Li

series ordinal

2

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31 August 2017

Jian Zhang

series ordinal

3

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31 August 2017

publication date

14 May 2014

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Medicinal Research Reviews

31 August 2017

published in

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31 August 2017

volume

34

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31 August 2017

issue

6

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31 August 2017

page(s)

1242-1285

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Protein function in the post-genomic era.

31 August 2017

cites work

1 reference

Allosteric receptors: from electric organ to cognition

21 January 2018

1 reference

The concept of allosteric modulation: an overview

21 January 2018

1 reference

Proteins move! Protein dynamics and long-range allostery in cell signaling

21 January 2018

1 reference

Allostery in pharmacology: thermodynamics, evolution and design

21 January 2018

1 reference

Allostery and population shift in drug discovery

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Allostery and cooperativity revisited

21 January 2018

1 reference

Mechanisms of transcription factor selectivity

21 January 2018

1 reference

Point mutations and sequence variability in proteins: redistributions of preexisting populations.

21 January 2018

1 reference

Allosteric mechanisms of signal transduction

21 January 2018

1 reference

The origin of allosteric functional modulation: multiple pre-existing pathways

21 January 2018

1 reference

Networks for the allosteric control of protein kinases

21 January 2018

1 reference

Mutation D816V alters the internal structure and dynamics of c-KIT receptor cytoplasmic region: implications for dimerization and activation mechanisms

21 January 2018

1 reference

Computational modeling of allosteric communication reveals organizing principles of mutation-induced signaling in ABL and EGFR kinases

21 January 2018

1 reference

Molecular mechanism of allosteric communication in Hsp70 revealed by molecular dynamics simulations

21 January 2018

1 reference

Allosteric conformational barcodes direct signaling in the cell

21 January 2018

1 reference

Conformational transition pathway in the activation process of allosteric glucokinase

21 January 2018

1 reference

Allosteric regulation and catalysis emerge via a common route.

21 January 2018

1 reference

Allostery in disease and in drug discovery

21 January 2018

1 reference

Allosteric post-translational modification codes

21 January 2018

1 reference

Searching for new allosteric sites in enzymes

21 January 2018

1 reference

Protein dynamics and allostery: an NMR view

21 January 2018

1 reference

Identification of regions of rabbit muscle pyruvate kinase important for allosteric regulation by phenylalanine, detected by H/D exchange mass spectrometry

21 January 2018

1 reference

State-dependent cAMP binding to functioning HCN channels studied by patch-clamp fluorometry

21 January 2018

1 reference

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

21 January 2018

1 reference

Conformational transition pathway in the allosteric process of human glucokinase

21 January 2018

1 reference

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

21 January 2018

1 reference

The mechanism of allosteric coupling in choline kinase α1 revealed by the action of a rationally designed inhibitor

21 January 2018

1 reference

Mechanism of kinase inactivation and nonbinding of FRATide to GSK3β due to K85M mutation: molecular dynamics simulation and normal mode analysis.

21 January 2018

1 reference

Markov propagation of allosteric effects in biomolecular systems: application to GroEL-GroES.

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

The different ways through which specificity works in orthosteric and allosteric drugs

21 January 2018

1 reference

Strategies for the selective regulation of kinases with allosteric modulators: exploiting exclusive structural features.

21 January 2018

1 reference

Emerging paradigms in GPCR allostery: implications for drug discovery

21 January 2018

1 reference

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

21 January 2018

1 reference

New directions in targeting protein kinases: focusing upon true allosteric and bivalent inhibitors

21 January 2018

1 reference

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

21 January 2018

1 reference

Allosteric binding sites on cell-surface receptors: novel targets for drug discovery

21 January 2018

1 reference

Allosteric proteins and cellular control systems

21 January 2018

1 reference

Structural basis for allosteric regulation of the monomeric allosteric enzyme human glucokinase

21 January 2018

1 reference

Surface sites for engineering allosteric control in proteins

21 January 2018

1 reference

Allosteric enzymes as biosensors for molecular diagnosis.

21 January 2018

1 reference

ON THE NATURE OF ALLOSTERIC TRANSITIONS: A PLAUSIBLE MODEL

21 January 2018

1 reference

Allostery and the Monod-Wyman-Changeux model after 50 years

21 January 2018

1 reference

Allosteric regulation of chaperonins.

21 January 2018

1 reference

Two families of chaperonin: physiology and mechanism

21 January 2018

1 reference

Molecular model of a lattice of signalling proteins involved in bacterial chemotaxis

21 January 2018

1 reference

Evolution of allosteric models for hemoglobin

21 January 2018

1 reference

A tertiary two-state allosteric model for hemoglobin.

21 January 2018

1 reference

New insights into allosteric mechanisms from trapping unstable protein conformations in silica gels

21 January 2018

1 reference

Comparison of Experimental Binding Data and Theoretical Models in Proteins Containing Subunits*

21 January 2018

1 reference

The role of dynamic conformational ensembles in biomolecular recognition

21 January 2018

1 reference

Allosteric inhibition through suppression of transient conformational states

21 January 2018

1 reference

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

21 January 2018

1 reference

Morpheeins--a new structural paradigm for allosteric regulation

21 January 2018

1 reference

Dynamic dissociating homo-oligomers and the control of protein function

21 January 2018

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Impact of quaternary structure dynamics on allosteric drug discovery

21 January 2018

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The morpheein model of allostery: evaluating proteins as potential morpheeins

21 January 2018

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Dynamic activation of an allosteric regulatory protein.

21 January 2018

1 reference

Protein activity regulation by conformational entropy

21 January 2018

1 reference

Allostery: absence of a change in shape does not imply that allostery is not at play

21 January 2018

1 reference

ASD: a comprehensive database of allosteric proteins and modulators

21 January 2018

1 reference

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

21 January 2018

1 reference

Rational engineering of enzyme allosteric regulation through sequence evolution analysis

21 January 2018

1 reference

Regulation of G protein-coupled receptors by allosteric ligands

21 January 2018

1 reference

Emerging opportunities for allosteric modulation of G-protein coupled receptors

21 January 2018

1 reference

Allosteric modulators for the treatment of schizophrenia: targeting glutamatergic networks

21 January 2018

1 reference

Development of allosteric modulators of GPCRs for treatment of CNS disorders

21 January 2018

1 reference

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

21 January 2018

1 reference

Conformational flexibility and structural dynamics in GPCR-mediated G protein activation: a perspective

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Positive and negative modulation of nicotinic receptors

21 January 2018

1 reference

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

21 January 2018

1 reference

Muscarinic acetylcholine receptors as CNS drug targets

21 January 2018

1 reference

Probe dependence in the allosteric modulation of a G protein-coupled receptor: implications for detection and validation of allosteric ligand effects

21 January 2018

1 reference

Small molecule allosteric modulation of the glucagon-like Peptide-1 receptor enhances the insulinotropic effect of oxyntomodulin.

21 January 2018

1 reference

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.

21 January 2018

1 reference

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

21 January 2018

1 reference

The many roles of chemokines and chemokine receptors in inflammation

21 January 2018

1 reference

The melanocortin-4 receptor: physiology, pharmacology, and pathophysiology.

21 January 2018

1 reference

Interaction of PTH and PTHrP with their receptors

21 January 2018

1 reference

Relaxin family peptide receptors--former orphans reunite with their parent ligands to activate multiple signalling pathways

21 January 2018

1 reference

International Union of Pharmacology. XXXII. The mammalian calcitonin gene-related peptides, adrenomedullin, amylin, and calcitonin receptors

21 January 2018

1 reference

Allosteric GPCR modulators: taking advantage of permissive receptor pharmacology.

21 January 2018

1 reference

Seven transmembrane receptors as shapeshifting proteins: the impact of allosteric modulation and functional selectivity on new drug discovery

21 January 2018

1 reference

Allosteric modulation and functional selectivity of G protein-coupled receptors.

21 January 2018

1 reference

Functional selectivity in GPCR signaling: understanding the full spectrum of receptor conformations.

21 January 2018

1 reference

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

21 January 2018

1 reference

Structural Features for Functional Selectivity at Serotonin Receptors

21 January 2018

1 reference

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

21 January 2018

1 reference

G protein coupling and signaling pathway activation by m1 muscarinic acetylcholine receptor orthosteric and allosteric agonists.

21 January 2018

1 reference

Synthesis and characterization of novel 2-amino-3-benzoylthiophene derivatives as biased allosteric agonists and modulators of the adenosine A(1) receptor.

21 January 2018

1 reference

The PIM family of serine/threonine kinases in cancer

21 January 2018

1 reference

Deciphering the structural basis of eukaryotic protein kinase regulation

21 January 2018

1 reference

Molecular modeling and molecular dynamics simulation studies of the GSK3β/ATP/substrate complex: understanding the unique P+4 primed phosphorylation specificity for GSK3β substrates.

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

FMS Kinase Inhibitors: Current Status and Future Prospects.

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Role of a novel PH-kinase domain interface in PKB/Akt regulation: structural mechanism for allosteric inhibition

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

The nuts and bolts of AGC protein kinases

21 January 2018

1 reference

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

21 January 2018

1 reference

21 January 2018

Autoinhibition of c-Abl

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Cyclin D as a therapeutic target in cancer

21 January 2018

1 reference

Discovery of a Potential Allosteric Ligand Binding Site in CDK2

21 January 2018

1 reference

Kinase CK2 inhibition: an update.

21 January 2018

1 reference

The CK2 alpha/CK2 beta interface of human protein kinase CK2 harbors a binding pocket for small molecules

21 January 2018

1 reference

RAS/RAF/MEK inhibitors in oncology

21 January 2018

1 reference

Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition.

21 January 2018

1 reference

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

21 January 2018

1 reference

Development of new insulin-like growth factor-1 receptor kinase inhibitors using catechol mimics

21 January 2018

1 reference

Advances in the structural biology, design and clinical development of VEGF-R kinase inhibitors for the treatment of angiogenesis

21 January 2018

1 reference

Structural basis of AMPK regulation by small molecule activators

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Non-nucleoside inhibitors of human adenosine kinase: synthesis, molecular modeling, and biological studies.

21 January 2018

1 reference

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

21 January 2018

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Development of thioquinazolinones, allosteric Chk1 kinase inhibitors

21 January 2018

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4-benzimidazolyl-3-phenylbutanoic acids as novel PIF-pocket-targeting allosteric inhibitors of protein kinase PKCζ.

21 January 2018

1 reference

Small molecule AKAP-protein kinase A (PKA) interaction disruptors that activate PKA interfere with compartmentalized cAMP signaling in cardiac myocytes

21 January 2018

1 reference

Identification of two human glutaminase loci and tissue-specific expression of the two related genes.

21 January 2018

1 reference

Full-length human glutaminase in complex with an allosteric inhibitor

21 January 2018

1 reference

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

21 January 2018

1 reference

Design, synthesis, and pharmacological evaluation of bis-2-(5-phenylacetamido-1,2,4-thiadiazol-2-yl)ethyl sulfide 3 (BPTES) analogs as glutaminase inhibitors.

21 January 2018

1 reference

Drug discovery targeting amino acid racemases

21 January 2018

1 reference

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

21 January 2018

1 reference

NMDA receptor regulation by D-serine: new findings and perspectives

21 January 2018

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

21 January 2018

1 reference

Molecular alliance-from orthosteric and allosteric ligands to dualsteric/bitopic agonists at G protein coupled receptors

21 January 2018

1 reference

Exploration of the orthosteric/allosteric interface in human M1 muscarinic receptors by bitopic fluorescent ligands

21 January 2018

1 reference

The underappreciated role of allostery in the cellular network.

21 January 2018

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The spatial structure of cell signaling systems

21 January 2018

1 reference

Allo-network drugs: extension of the allosteric drug concept to protein- protein interaction and signaling networks

21 January 2018

1 reference

From allosteric drugs to allo-network drugs: state of the art and trends of design, synthesis and computational methods

21 January 2018

1 reference

Dissecting the role of mTOR: lessons from mTOR inhibitors

21 January 2018

1 reference

mTOR and cancer: many loops in one pathway.

21 January 2018

1 reference

Toward understanding the molecular basis for chemical allosteric modulator design.

21 January 2018

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

21 January 2018

1 reference

A common allosteric site and mechanism in caspases

21 January 2018

1 reference

Tethering: fragment-based drug discovery

21 January 2018

1 reference

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

21 January 2018

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Allosteric modulation of caspases

21 January 2018

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Identification of specific tethered inhibitors for caspase-5.

21 January 2018

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Fluorescent labeling of proteins.

21 January 2018

1 reference

A new screening assay for allosteric inhibitors of cSrc

21 January 2018

1 reference

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

21 January 2018

1 reference

Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors

21 January 2018

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Direct binding assay for the detection of type IV allosteric inhibitors of Abl.

21 January 2018

1 reference

Recent development of small molecular specific inhibitor of protein tyrosine phosphatase 1B.

21 January 2018

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Allosteric inhibition of protein tyrosine phosphatase 1B.

21 January 2018

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Selective detection of allosteric phosphatase inhibitors.

21 January 2018

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Drugs for allosteric sites on receptors

21 January 2018

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Impact of high-throughput screening in biomedical research

21 January 2018

1 reference

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

21 January 2018

1 reference

The synthesis of UDP-N-acetylglucosamine is essential for bloodstream form trypanosoma brucei in vitro and in vivo and UDP-N-acetylglucosamine starvation reveals a hierarchy in parasite protein glycosylation.

21 January 2018

1 reference

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

21 January 2018

1 reference

Ligand efficiency and fragment-based drug discovery

21 January 2018

1 reference

A decade of fragment-based drug design: strategic advances and lessons learned

21 January 2018

1 reference

Recent progress in fragment-based lead discovery

21 January 2018

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From fragment to clinical candidate--a historical perspective.

21 January 2018

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The rise of fragment-based drug discovery

21 January 2018

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Contributions of computational chemistry and biophysical techniques to fragment-based drug discovery

21 January 2018

1 reference

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

21 January 2018

1 reference

Fragment-based approaches in drug discovery and chemical biology

21 January 2018

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Fragment informatics and computational fragment-based drug design: an overview and update

21 January 2018

1 reference

Binding evaluation of fragment-based scaffolds for probing allosteric enzymes.

21 January 2018

1 reference

New Insights Into the Molecular Mechanisms of Action of Bisphosphonates

21 January 2018

1 reference

Design, synthesis, and biological evaluation of novel aminobisphosphonates possessing an in vivo antitumor activity through a gammadelta-T lymphocytes-mediated activation mechanism.

21 January 2018

1 reference

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

21 January 2018

1 reference

Structure-activity relationships in the development of allosteric hepatitis C virus RNA-dependent RNA polymerase inhibitors: ten years of research

21 January 2018

1 reference

Deconstruction of non-nucleoside reverse transcriptase inhibitors of human immunodeficiency virus type 1 for exploration of the optimization landscape of fragments

21 January 2018

1 reference

Novel allosteric sites on Ras for lead generation

21 January 2018

1 reference

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

21 January 2018

1 reference

Heat stability and allosteric properties of the maize endosperm ADP-glucose pyrophosphorylase are intimately intertwined

21 January 2018

1 reference

Probing allosteric binding sites of the maize endosperm ADP-glucose pyrophosphorylase

21 January 2018

1 reference

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

21 January 2018

1 reference

Lys169 of human glucokinase is a determinant for glucose phosphorylation: implication for the atomic mechanism of glucokinase catalysis

21 January 2018

1 reference

Dynamic mechanism for the autophosphorylation of CheA histidine kinase: molecular dynamics simulations

21 January 2018

1 reference

Computational screening for active compounds targeting protein sequences: methodology and experimental validation

21 January 2018

1 reference

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

21 January 2018

1 reference

Numerous classes of general anesthetics inhibit etomidate binding to gamma-aminobutyric acid type A (GABAA) receptors

21 January 2018

1 reference

γ-Secretase modulator (GSM) photoaffinity probes reveal distinct allosteric binding sites on presenilin

21 January 2018

1 reference

Identifying barbiturate binding sites in a nicotinic acetylcholine receptor with [3H]allyl m-trifluoromethyldiazirine mephobarbital, a photoreactive barbiturate.

21 January 2018

1 reference

Allosite: a method for predicting allosteric sites

21 January 2018

1 reference

Identification of a new binding site in E. coli FabH using Molecular dynamics simulations: validation by computational alanine mutagenesis and docking studies

21 January 2018

1 reference

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

21 January 2018

1 reference

Exploiting protein flexibility to predict the location of allosteric sites

21 January 2018

1 reference

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

21 January 2018

1 reference

Coherent conformational degrees of freedom as a structural basis for allosteric communication

21 January 2018

1 reference

Binding leverage as a molecular basis for allosteric regulation

21 January 2018

1 reference

SPACER: Server for predicting allosteric communication and effects of regulation.

21 January 2018

1 reference

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

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/MED.21317

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31 August 2017

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