AlphaFold2: a role for disordered protein/region prediction?

CJ Wilson, WY Choy, M Karttunen - International Journal of Molecular …, 2022 - mdpi.com
The development of AlphaFold2 marked a paradigm-shift in the structural biology
community. Herein, we assess the ability of AlphaFold2 to predict disordered regions …

Fbxo45 promotes the malignant development of esophageal squamous cell carcinoma by targeting GGNBP2 for ubiquitination and degradation

Q Wang, L Wu, R Cao, J Gao, D Chai, Y Qin, L Ma… - Oncogene, 2022 - nature.com
Esophageal squamous cell carcinoma (ESCC) is one of the most common and deadly
cancers. Fbxo45, a substrate recognition subunit of E3 ligase, is critically involved in …

A molecular dynamics study of conformations of beta-cyclodextrin and its eight derivatives in four different solvents

W Khuntawee, M Karttunen… - Physical Chemistry …, 2017 - pubs.rsc.org
Understanding the atomic level interactions and the resulting structural characteristics is
required for developing beta-cyclodextrin (βCD) derivatives for pharmaceutical and other …

Exploring the conformational landscape of the Neh4 and Neh5 domains of Nrf2 using two different force fields and circular dichroism

M Chang, CJ Wilson, NC Karunatilleke… - Journal of Chemical …, 2021 - ACS Publications
The nuclear factor erythroid 2-related factor 2 (Nrf2)-ARE transcriptional response pathway
plays a critical role in protecting the cell from oxidative stresses via the upregulation of …

Biophysical characterization of p53 core domain aggregates

I Lima, A Navalkar, SK Maji, JL Silva… - Biochemical …, 2020 - portlandpress.com
Aggregation is the cause of numerous protein conformation diseases. A common facet of
these maladies is the transition of a protein from its functional native state into higher order …

GGNBP2 suppresses triple-negative breast cancer aggressiveness through inhibition of IL-6/STAT3 signaling activation

J Liu, L Liu, E Yagüe, Q Yang, T Pan, H Zhao… - Breast Cancer Research …, 2019 - Springer
Background Triple-negative breast cancer (TNBC) is the most aggressive subtype of breast
cancer, lacking effective targeted therapies, and whose underlying mechanisms are still …

Prediction of binding energy of Keap1 interaction motifs in the Nrf2 antioxidant pathway and design of potential high-affinity peptides

M Karttunen, WY Choy, EA Cino - The Journal of Physical …, 2018 - ACS Publications
Nuclear factor erythroid 2-related factor 2 (Nrf2) is a transcription factor and principal
regulator of the antioxidant pathway. The Kelch domain of Kelch-like ECH-associated …

Anomalous structural dynamics of minimally frustrated residues in cardiac troponin C triggers hypertrophic cardiomyopathy

MA Marques, M Landim-Vieira, AH Moraes, B Sun… - Chemical …, 2021 - pubs.rsc.org
Cardiac TnC (cTnC) is highly conserved among mammals, and genetic variants can result in
disease by perturbing Ca2+-regulation of myocardial contraction. Here, we report the …

Molecular dynamics of" Fuzzy" transcriptional activator-coactivator interactions

NS Scholes, ROJ Weinzierl - PLoS computational biology, 2016 - journals.plos.org
Transcriptional activation domains (ADs) are generally thought to be intrinsically
unstructured, but capable of adopting limited secondary structure upon interaction with a …

Conformational dynamics of tetracenomycin aromatase/cyclase regulate polyketide binding and enzyme aggregation propensity

VS Valadares, LC Martins, EA Roman… - … et Biophysica Acta (BBA …, 2021 - Elsevier
Background The N-terminal domain of Tetracenomycin aromatase/cyclase (TcmN), an
enzyme derived from Streptomyces glaucescens, is involved in polyketide cyclization …