Article

Community analysis of large-scale molecular dynamics simulations elucidated dynamics-driven allostery in Tyrosine kinase 2

2023-07-18

Abstract excerpt

TYK2 is a non-receptor tyrosine kinase, member of the Janus kinases (JAK), with a central role in several diseases, including cancer. The JAKs’ catalytic domains (KD) are highly conserved, yet the isolated TYK2-KD exhibits unique specificities. In a previous work, using molecular dynamics (MD) simulations of a catalytically-impaired TYK2-KD variant (P1104A) we found that this amino-acid change of its JAK-character...

Topics

Open a Topic to create a Post that cites this publication.

Identifiers and source

Literature Corpus work: 31bf550b-3899-55bc-b5a1-ef5fbc239fcd
DOI: 10.22541/au.168969561.12631657/v1

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Community analysis of large-scale molecular dynamics simulations elucidated dynamics-driven allostery in Tyrosine kinase 2DOI 10.22541/au.168969561.12631657/v1Read

Generalizable Protein Dynamics in Kinases: Physics is the keySemantic proximity Read

Deep mutational scanning reveals pharmacologically relevant insights into TYK2 signaling and diseaseSemantic proximity Read

Deep mutational scanning reveals pharmacologically relevant insights into TYK2 signaling and disease.Semantic proximity Read

PLANET-MD: Ultra-fast Proteome-scale Prediction of Allosteric Networks in ProteinsSemantic proximity Read

Modeling the effect of pathogenic mutations on the conformational landscape of protein kinases.Semantic proximity Read

Divergent conformational mechanisms of JAK2V617F and TYK2V678F mutations in Thrombocythemia and related disorders: Molecular Dynamics insights into pathway activation and therapeutic targetingSemantic proximity Read

Impact of single amino acid substitution on the structure and function of TANK-binding kinase-1.Semantic proximity Read

Structural models of full-length JAK2 kinaseSemantic proximity Read

Tyrosine Kinase Activation and Conformational Flexibility: Lessons from Src-Family Tyrosine Kinases.Semantic proximity Read

Conservation and divergence in the allosteric architectures of five human protein kinasesSemantic proximity Read

Kinematic analysis of kinases and their oncogenic mutations - Kinases and their mutation kinematic analysis.Semantic proximity Read

Conformational plasticity and allosteric communication networks govern Shelterin protein TPP1 binding to human telomeraseSemantic proximity Read