Small Molecule Targeting of Protein-Protein Interactions through Allosteric Modulation of Dynamics (Q26785992)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=PMCID:PMC6332300&resulttype=core&format=json

protein-protein interaction

13 May 2020

main subject

1 reference

Benjamin P Cossins

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=PMCID:PMC6332300&resulttype=core&format=json

13 May 2020

Alastair D G Lawson

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=PMCID:PMC6332300&resulttype=core&format=json

13 May 2020

language of work or name

English

0 references

publication date

2015

0 references

published in

Molecules

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=PMCID:PMC6332300&resulttype=core&format=json

13 May 2020

volume

20

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=PMCID:PMC6332300&resulttype=core&format=json

13 May 2020

issue

9

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=PMCID:PMC6332300&resulttype=core&format=json

13 May 2020

page(s)

16435-16445

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=PMCID:PMC6332300&resulttype=core&format=json

Creative Commons Attribution 4.0 International

13 May 2020

copyright license

start time

10 September 2015

1 reference

April 2022 Public Data File from Crossref

0 references

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

How many drug targets are there?

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Learning lessons from drugs that have recently entered the market

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Small-molecule inhibitors of protein-protein interactions: progressing toward the reality

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Structural biology and drug discovery for protein-protein interactions.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Expanding the number of 'druggable' targets: non-enzymes and protein-protein interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

An empirical framework for binary interactome mapping

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

2P2Idb: a structural database dedicated to orthosteric modulation of protein-protein interactions.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein-protein interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

TIMBAL v2: update of a database holding small molecules modulating protein-protein interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Strategies for targeting protein-protein interactions with synthetic agents.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Comprehensive analysis of loops at protein-protein interfaces for macrocycle design

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Stapled α−helical peptide drug development: A potent dual inhibitor of MDM2 and MDMX for p53-dependent cancer therapy

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Horses for courses: reaching outside drug-like chemical space for inhibitors of challenging drug targets

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Helix mimetics: Recent developments

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Strategies to search and design stabilizers of protein-protein interactions: a feasibility study

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

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

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Chemical, target, and bioactive properties of allosteric modulation

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

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

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

The ensemble nature of allostery

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Entropic mechanism of large fluctuation in allosteric transition

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Dynamic allostery: linkers are not merely flexible

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Protein functional landscapes, dynamics, allostery: a tortuous path towards a universal theoretical framework.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

A unified view of "how allostery works"

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

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

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Entropy-enthalpy transduction caused by conformational shifts can obscure the forces driving protein-ligand binding

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Protein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

The binding mechanism, multiple binding modes, and allosteric regulation of Staphylococcus aureus Sortase A probed by molecular dynamics simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Dynamic architecture of a protein kinase.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

The Application of Ligand-Mapping Molecular Dynamics Simulations to the Rational Design of Peptidic Modulators of Protein-Protein Interactions.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Probing structural adaptivity at PPI interfaces with small molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Small Molecule Inhibition of the TNF Family Cytokine CD40 Ligand through a Subunit Fracture Mechanism

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Allostery without conformation change: modelling protein dynamics at multiple scales

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Harmonic dynamics of proteins: normal modes and fluctuations in bovine pancreatic trypsin inhibitor

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Modulation of Global Low-Frequency Motions Underlies Allosteric Regulation: Demonstration in CRP/FNR Family Transcription Factors

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

The Role of Protein-Ligand Contacts in Allosteric Regulation of the Escherichia coli Catabolite Activator Protein

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Conformational entropy in molecular recognition by proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Remote changes in the dynamics of the phosphotyrosine-binding domain of insulin receptor substrate-1 induced by phosphopeptide binding.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Structures of the alpha L I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Reversibly locking a protein fold in an active conformation with a disulfide bond: integrin alphaL I domains with high affinity and antagonist activity in vivo

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)n

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Allosteric inhibitors of inducible nitric oxide synthase dimerization discovered via combinatorial chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Allosteric Inhibition of the Protein-Protein Interaction between the Leukemia-Associated Proteins Runx1 and CBFβ

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Allosteric modulation of protein oligomerization: an emerging approach to drug design

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Taxol allosterically alters the dynamics of the tubulin dimer and increases the flexibility of microtubules

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Molecular mechanism of action of microtubule-stabilizing anticancer agents

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Inhibitors of protein-protein interactions: new methodologies to tackle this challenge

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Features of protein-protein interactions that translate into potent inhibitors: topology, surface area and affinity

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Binding efficiency of protein-protein complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Positive and negative allosteric modulation of metabotropic glutamate receptors: emerging therapeutic potential

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Streamlining hit discovery and optimization with a yoctoliter scale DNA reactor

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Fidelity by design: Yoctoreactor and binder trap enrichment for small-molecule DNA-encoded libraries and drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Human immunoglobulin E flexes between acutely bent and extended conformations.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Identification of two distinct inactive conformations of the beta2-adrenergic receptor reconciles structural and biochemical observations

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Equilibrium fluctuations of a single folded protein reveal a multitude of potential cryptic allosteric sites

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Replica-exchange molecular dynamics method for protein folding

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

From A to B in free energy space

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs.

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Atomic-Level Characterization of the Structural Dynamics of Proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Characterization of the conformational equilibrium between the two major substates of RNase A using NMR chemical shifts

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Quantifying Correlations Between Allosteric Sites in Thermodynamic Ensembles

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Kinetic Cooperativity in Human Pancreatic Glucokinase Originates from Millisecond Dynamics of the Small Domain

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Prediction of allosteric sites on protein surfaces with an elastic-network-model-based thermodynamic method

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Computational fragment-based binding site identification by ligand competitive saturation

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Tethering: fragment-based drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Discovery of multiple hidden allosteric sites by combining Markov state models and experiments

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Evolution of oligomeric state through allosteric pathways that mimic ligand binding

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

The Different Flexibility of c-Src and c-Abl Kinases Regulates the Accessibility of a Druggable Inactive Conformation

21 January 2018

1 reference

https://api.crossref.org/works/10.3390/MOLECULES200916435

Getting pharmaceutical R&D back on target

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26378508

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Antibody-enabled small-molecule drug discovery

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26378508

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Allostery without conformational change. A plausible model

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26378508

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.3390/MOLECULES200916435

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=PMCID:PMC6332300&resulttype=core&format=json

release_qf5xo6qwabh5hblrfxlioildya

13 May 2020

Fatcat ID

0 references

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=PMCID:PMC6332300&resulttype=core&format=json

13 May 2020

PubMed publication ID

26378508

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=PMCID:PMC6332300&resulttype=core&format=json