Work

Mechanism of MEK1 activation by phosphorylation

Year: 2025

Type: dataset

Abstract: This dataset includes:1. A model .py file for running our simulations in OpenMM. 2. Centroids from the clustered structural states of H188, R189, D190, and K192 (the critical catalytic residues of MEK1) with ciMIST, for each MEK1 phosphorylation state. The .pdb naming scheme is as follows: MEK1{phosphorylation state: UnPHOS, S218PHOS, S222PHOS, or PHOS}_Residue{residue being clustered}_Size{number of frames in the cluster}_Cluster{cluster number}.pdb For example, MEK1UnPHOS_Residue192_Size10560_Cluster1.pdb

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.17636398

Authors: Lin, Milo, Sari, Levent

Institution: The University of Texas Southwestern Medical Center

Language: English

Topic: Protein Kinase Regulation and GTPase Signaling

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: green

OpenAlex ID: W7116852637

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