Molecular dynamics simulations disclose early stages of the photo-activation of cryptochrome 4

DR Kattnig, C Nielsen, IA Solov'yov - New Journal of Physics, 2018 - iopscience.iop.org
Birds appear to be equipped with a light-dependent, radical-pair-based magnetic compass
that relies on truly quantum processes. While the identity of the sensory protein has …

[HTML][HTML] Mechanical force can enhance c-Src kinase activity by impairing autoinhibition

C Daday, S de Buhr, D Mercadante, F Gräter - Biophysical Journal, 2022 - cell.com
Cellular mechanosensing is pivotal for virtually all biological processes, and many
molecular mechano-sensors and their way of function are being uncovered. In this work, we …

Structural basis of constitutive c-Src kinase activity due to R175L and W118A mutations

M Gul, A Navid, S Rashid - Journal of Biomolecular Structure and …, 2023 - Taylor & Francis
Abstract Cellular Src (c-Src) belongs to a non-receptor membrane-associated tyrosine
kinase family that plays essential roles in cellular processes. Growing evidence suggests …

Applications of molecular modeling to flavoproteins: Insights and challenges

E Sjulstok, IA Solov'yov, PL Freddolino - Methods in Enzymology, 2019 - Elsevier
The general field of molecular simulation provides a wide spectrum of methods for studying
the structure and function of biomolecules. Depending on the scale and question of interest …

Predicted Hotspot Residues Involved in Allosteric Signal Transmission in Pro-Apoptotic Peptide—Mcl1 Complexes

P Marimuthu, J Razzokov, K Singaravelu, A Bogaerts - Biomolecules, 2020 - mdpi.com
Mcl1 is a primary member of the Bcl–2 family—anti–apoptotic proteins (AAP)—that is
overexpressed in several cancer pathologies. The apoptotic regulation is mediated through …

SHP-1 tyrosine phosphatase binding to c-Src kinase phosphor-dependent conformations: A comparative structural framework

M Gul, A Navid, M Fakhar, S Rashid - Plos one, 2023 - journals.plos.org
SHP-1 is a cytosolic tyrosine phosphatase that is primarily expressed in hematopoietic cells.
It acts as a negative regulator of numerous signaling pathways and controls multiple cellular …

Molecular insight into conformational transformation of human glucokinase: conventional and targeted molecular dynamics

E Ermakova, R Kurbanov - Journal of Biomolecular Structure and …, 2020 - Taylor & Francis
Glucokinase (GK) plays a key role in the regulation of hepatic glucose metabolism. An
unusual mechanism of positive cooperativity of monomeric GK containing only a single …

Generating conformational transition paths with low potential-energy barriers for proteins

MK Nguyen, L Jaillet, S Redon - Journal of computer-aided molecular …, 2018 - Springer
The knowledge of conformational transition paths in proteins can be useful for
understanding protein mechanisms. Recently, we have introduced the As-Rigid-As-Possible …

Time Series Analysis on the Conformational Change of c-Src Tyrosine Kinase

HJ Yoon, S Lee, S Park, S Wu - Protein Kinases-Promising …, 2021 - books.google.com
Abstract c-Src tyrosine kinase plays an important role in signal transduction pathways,
where its activity is regulated by phosphorylation of the two tyrosine residues. We performed …

[PDF][PDF] A Study on Imatinib Binding to c-Src Tyrosine Kinase According to Sequential Conformational Change

S Park, S Wu - scholar.archive.org
비수용체 (Non receptor) 티로신 키나아제 (Tyrosine Kinase) 의 하나인 c-Src 는 세포 이동,
증식, 분화, 혈관 생성, 면역 기능과 같은 다양한 세포 신호 전달 과정의 핵심역할을 하는 것으로 …