Classification of KRAS-Activating Mutations and the Implications for Therapeutic Intervention

C Johnson, DL Burkhart, KM Haigis - Cancer discovery, 2022 - AACR
Members of the family of RAS proto-oncogenes, discovered just over 40 years ago, were
among the first cancer-initiating genes to be discovered. Of the three RAS family members …

The Ras switch in structural and historical perspective

R Gasper, F Wittinghofer - Biological chemistry, 2019 - degruyter.com
Since its discovery as an oncogene more than 40 years ago, Ras has been and still is in the
focus of many academic and pharmaceutical labs around the world. A huge amount of work …

Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary In Silico Approaches Based on Unbiased Molecular Dynamics Simulations

M Castelli, F Marchetti, S Osuna… - Journal of the …, 2023 - ACS Publications
Protein functions are dynamically regulated by allostery, which enables conformational
communication even between faraway residues, and expresses itself in many forms, akin to …

Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics

L Casalino, Ł Nierzwicki, M **ek, G Palermo - ACS catalysis, 2020 - ACS Publications
CRISPR-Cas9 is a cutting-edge genome editing technology, which uses the endonuclease
Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is …

Loop dynamics and enzyme catalysis in protein tyrosine phosphatases

RM Crean, M Biler, MW van der Kamp… - Journal of the …, 2021 - ACS Publications
Protein tyrosine phosphatases (PTPs) play an important role in cellular signaling and have
been implicated in human cancers, diabetes, and obesity. Despite shared catalytic …

The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes

M Osorio-Valeriano, F Altegoer, CK Das, W Steinchen… - Molecular cell, 2021 - cell.com
ParB-like CTPases mediate the segregation of bacterial chromosomes and low-copy
number plasmids. They act as DNA-sliding clamps that are loaded at parS motifs in the …

ATP can efficiently stabilize protein through a unique mechanism

X Ou, Y Lao, J Xu, Y Wutthinitikornkit, R Shi, X Chen… - JACS Au, 2021 - ACS Publications
Recent experiments suggested that ATP can effectively stabilize protein structure and inhibit
protein aggregation when its concentration is less than 10 mM, which is significantly lower …

Arginine kinase activates Arginine for phosphorylation by pyramidalization and polarization

F Falcioni, RW Molt Jr, Y **, JP Waltho, S Hay… - ACS …, 2024 - ACS Publications
Arginine phosphorylation plays numerous roles throughout biology. Arginine kinase (AK)
catalyzes the delivery of an anionic phosphoryl group (PO3–) from ATP to a planar, trigonal …

The Ras dimer structure

T Rudack, C Teuber, M Scherlo, J Güldenhaupt… - Chemical …, 2021 - pubs.rsc.org
Oncogenic mutated Ras is a key player in cancer, but despite intense and expensive
approaches its catalytic center seems undruggable. The Ras dimer interface is a possible …

Discovery of Thieno [2, 3-d] pyrimidine-based KRAS G12D inhibitors as potential anticancer agents via combinatorial virtual screening

L Li, J Liu, Z Yang, H Zhao, B Deng, Y Ren… - European Journal of …, 2022 - Elsevier
A series of novel thieno [2, 3-d] pyrimidine analogs were designed and synthesized as
KRAS G12D inhibitors via combinatorial virtual screening approach. Most compounds …