(Q35738216)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24584478%20AND%20SRC:MED&resulttype=core&format=json

9 March 2020

title

Activation pathway of Src kinase reveals intermediate states as targets for drug design (English)

1 reference

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9 March 2020

1

1 reference

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9 March 2020

4

Vijay S Pande

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24584478%20AND%20SRC:MED&resulttype=core&format=json

9 March 2020

author name string

Yilin Meng

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24584478%20AND%20SRC:MED&resulttype=core&format=json

9 March 2020

Benoît Roux

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24584478%20AND%20SRC:MED&resulttype=core&format=json

9 March 2020

language of work or name

English

0 references

publication date

3 March 2014

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24584478%20AND%20SRC:MED&resulttype=core&format=json

9 March 2020

published in

Nature Communications

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24584478%20AND%20SRC:MED&resulttype=core&format=json

9 March 2020

volume

5

1 reference

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9 March 2020

page(s)

3397

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24584478%20AND%20SRC:MED&resulttype=core&format=json

https://scigraph.springernature.com/pub.10.1038/ncomms4397

9 March 2020

exact match

0 references

cites work

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

1 reference

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

27 July 2018

1 reference

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Locking the active conformation of c-Src kinase through the phosphorylation of the activation loop

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

NMR relaxation in proteins with fast internal motions and slow conformational exchange: model-free framework and Markov state simulations

27 July 2018

1 reference

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Enhanced modeling via network theory: Adaptive sampling of Markov state models

27 July 2018

1 reference

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Explaining why Gleevec is a specific and potent inhibitor of Abl kinase

27 July 2018

1 reference

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To milliseconds and beyond: challenges in the simulation of protein folding

27 July 2018

1 reference

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A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2

27 July 2018

1 reference

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Oncogenic mutations counteract intrinsic disorder in the EGFR kinase and promote receptor dimerization

27 July 2018

1 reference

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Characterization and rapid sampling of protein folding Markov state model topologies

27 July 2018

1 reference

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Discovery of a Potential Allosteric Ligand Binding Site in CDK2

27 July 2018

1 reference

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Protein kinases: evolution of dynamic regulatory proteins

27 July 2018

1 reference

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SRC: a century of science brought to the clinic

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Myristoylation and membrane binding regulate c-Src stability and kinase activity

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Everything you wanted to know about Markov State Models but were afraid to ask

27 July 2018

1 reference

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Proteus in the world of proteins: conformational changes in protein kinases.

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Quantifying Correlations Between Allosteric Sites in Thermodynamic Ensembles

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Targeting the cancer kinome through polypharmacology

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

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

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Progress and challenges in the automated construction of Markov state models for full protein systems

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

A kinetic model of trp-cage folding from multiple biased molecular dynamics simulations

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Mapping the conformational transition in Src activation by cumulating the information from multiple molecular dynamics trajectories

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

The interplay of structural information and functional studies in kinase drug design: insights from BCR-Abl

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

A conserved protonation-dependent switch controls drug binding in the Abl kinase

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Targeting cancer with small molecule kinase inhibitors

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Building Markov state models along pathways to determine free energies and rates of transitions

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Tyr130 phosphorylation triggers Syk release from antigen receptor by long-distance conformational uncoupling

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

An electrostatic network and long-range regulation of Src kinases

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Src kinase conformational activation: thermodynamics, pathways, and mechanisms

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Finding transition pathways using the string method with swarms of trajectories

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

COMPUTING: Screen Savers of the World Unite!

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Src kinase activation: A switched electrostatic network

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

The crystal structure of a c-Src complex in an active conformation suggests possible steps in c-Src activation

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Strategies to overcome resistance to targeted protein kinase inhibitors

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Src protein-tyrosine kinase structure and regulation

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Using path sampling to build better Markovian state models: predicting the folding rate and mechanism of a tryptophan zipper beta hairpin

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Development and testing of a general amber force field

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Protein kinase inhibitors: insights into drug design from structure.

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Kinetic and catalytic mechanisms of protein kinases

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Oncogenic kinase signalling

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Conformational changes in the activation loop of the insulin receptor's kinase domain

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Activation of the Src-family tyrosine kinase Hck by SH3 domain displacement

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Crystal structure of the Src family tyrosine kinase Hck

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Potential positive and negative autoregulation of p60c-src by intermolecular autophosphorylation

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

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

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

New insights in protein kinase conformational dynamics

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

MSMBuilder2: Modeling Conformational Dynamics at the Picosecond to Millisecond Scale

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Insights into the dynamics of HIV-1 protease: a kinetic network model constructed from atomistic simulations.

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Markov models of molecular kinetics: generation and validation

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Atomistic view of the conformational activation of Src kinase using the string method with swarms-of-trajectories

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Substrate binding mechanism of HIV-1 protease from explicit-solvent atomistic simulations.

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Exploring complex protein-ligand recognition mechanisms with coarse metadynamics

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Transition-path theory and path-finding algorithms for the study of rare events

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Hierarchical analysis of conformational dynamics in biomolecules: transition networks of metastable states.

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Fragment-based lead discovery: a chemical update

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Illustration of transition path theory on a collection of simple examples.

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

String method in collective variables: minimum free energy paths and isocommittor surfaces.

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Error analysis and efficient sampling in Markovian state models for molecular dynamics.

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

The N-terminal end of the catalytic domain of SRC kinase Hck is a conformational switch implicated in long-range allosteric regulation

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

New lead generation strategies for protein kinase inhibitors - fragment based screening approaches

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

Crystal structures of c-Src reveal features of its autoinhibitory mechanism

25 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4465921

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

25 September 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCOMMS4397

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCOMMS4397

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCOMMS4397

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/10.1038%2FNCOMMS4397

Protein Conformational Transitions: The Closure Mechanism of a Kinase Explored by Atomistic Simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1038%2FNCOMMS4397

The rise and fall of gatekeeper mutations? TheBCR-ABL1T315I paradigm

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24584478

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1038/NCOMMS4397

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24584478%20AND%20SRC:MED&resulttype=core&format=json

9 March 2020

0 references

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24584478%20AND%20SRC:MED&resulttype=core&format=json

9 March 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24584478%20AND%20SRC:MED&resulttype=core&format=json