The role of protein loops and linkers in conformational dynamics and allostery

E Papaleo, G Saladino, M Lambrughi… - Chemical …, 2016 - ACS Publications
Proteins are dynamic entities that undergo a plethora of conformational changes that may
take place on a wide range of time scales. These changes can be as small as the rotation of …

The specificity of asciminib, a potential treatment for chronic myeloid leukemia, as a myristate-pocket binding ABL inhibitor and analysis of its interactions with mutant …

PW Manley, L Barys, SW Cowan-Jacob - Leukemia research, 2020 - Elsevier
Asciminib is a potent, orally bioavailable, investigational drug that specifically and potently
inhibits the tyrosine kinase activity of native ABL1, together with that of the chimeric BCR …

Protein–ligand binding with the coarse-grained Martini model

PCT Souza, S Thallmair, P Conflitti… - Nature …, 2020 - nature.com
The detailed understanding of the binding of small molecules to proteins is the key for the
development of novel drugs or to increase the acceptance of substrates by enzymes …

Structure determination of high-energy states in a dynamic protein ensemble

JB Stiller, R Otten, D Häussinger, PS Rieder… - Nature, 2022 - nature.com
Macromolecular function frequently requires that proteins change conformation into high-
energy states,,–. However, methods for solving the structures of these functionally essential …

Src kinases as therapeutic targets for cancer

LC Kim, L Song, EB Haura - Nature reviews Clinical oncology, 2009 - nature.com
Src family kinases (SFKs) have a critical role in cell adhesion, invasion, proliferation,
survival, and angiogenesis during tumor development. SFKs comprise nine family members …

The structural basis for control of eukaryotic protein kinases

JA Endicott, MEM Noble… - Annual review of …, 2012 - annualreviews.org
Eukaryotic protein kinases are key regulators of cell processes. Comparison of the structures
of protein kinase domains, both alone and in complexes, allows generalizations to be made …

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

D Shukla, Y Meng, B Roux, VS Pande - Nature communications, 2014 - nature.com
Unregulated activation of Src kinases leads to aberrant signalling, uncontrolled growth and
differentiation of cancerous cells. Reaching a complete mechanistic understanding of large …

Allosteric activation of functionally asymmetric RAF kinase dimers

J Hu, EC Stites, H Yu, EA Germino, HS Meharena… - Cell, 2013 - cell.com
Although RAF kinases are critical for controlling cell growth, their mechanism of activation is
incompletely understood. Recently, dimerization was shown to be important for activation …

FYN: emerging biological roles and potential therapeutic targets in cancer

SF Peng, Y Fu - Journal of Translational Medicine, 2023 - Springer
Src family protein kinases (SFKs) play a key role in cell adhesion, invasion, proliferation,
survival, apoptosis, and angiogenesis during tumor development. In humans, SFKs consists …

[HTML][HTML] Regulation of the SRC family kinases by Csk

M Okada - International journal of biological sciences, 2012 - ncbi.nlm.nih.gov
The non-receptor tyrosine kinase Csk serves as an indispensable negative regulator of the
Src family tyrosine kinases (SFKs) by specifically phosphorylating the negative regulatory …