Intrinsically disordered proteins: ensembles at the limits of Anfinsen's dogma

P Kulkarni, VBP Leite, S Roy, S Bhattacharyya… - Biophysics …, 2022 - pubs.aip.org
Intrinsically disordered proteins (IDPs) are proteins that lack rigid 3D structure. Hence, they
are often misconceived to present a challenge to Anfinsen's dogma. However, IDPs exist as …

The small GTPases K-Ras, N-Ras, and H-Ras have distinct biochemical properties determined by allosteric effects

CW Johnson, D Reid, JA Parker, S Salter… - Journal of Biological …, 2017 - ASBMB
H-Ras, K-Ras, and N-Ras are small GTPases that are important in the control of cell
proliferation, differentiation, and survival, and their mutants occur frequently in human …

Conformational transformation of switch domains in GDP/K-Ras induced by G13 mutants: An investigation through Gaussian accelerated molecular dynamics …

J Chen, L Wang, W Wang, H Sun, L Pang… - Computers in Biology and …, 2021 - Elsevier
Mutations in K-Ras are involved in a large number of all human cancers, thus, K-Ras is
regarded as a promising target for anticancer drug design. Understanding the target roles of …

Tumor-derived RHOA mutants interact with effectors in the GDP-bound state

Y Lin, TA Ramelot, S Senyuz, A Gursoy, H Jang… - Nature …, 2024 - nature.com
RHOA mutations are found at diverse residues in various cancer types, implying mutation-
and cell-specific mechanisms of tumorigenesis. Here, we focus on the underlying …

K-Ras populates conformational states differently from its isoform H-Ras and oncogenic mutant K-RasG12D

JA Parker, AY Volmar, S Pavlopoulos, C Mattos - Structure, 2018 - cell.com
Structures of wild-type K-Ras from crystals obtained in the presence of guanosine
triphosphate (GTP) or its analogs have remained elusive. Of the K-Ras mutants, only K …

Unveiling conformational dynamics changes of H-Ras induced by mutations based on accelerated molecular dynamics

J Chen, W Wang, L Pang, W Zhu - Physical Chemistry Chemical …, 2020 - pubs.rsc.org
Uncovering molecular basis with regard to the conformational change of two switches I and
II in the GppNHp (GNP)-bound H-Ras is highly significant for the understanding of Ras …

Reduced dynamic complexity allows structure elucidation of an excited state of KRASG13D

FA Chao, AH Chan, S Dharmaiah… - Communications …, 2023 - nature.com
Localized dynamics of RAS, including regions distal to the nucleotide-binding site, is of high
interest for elucidating the mechanisms by which RAS proteins interact with effectors and …

Oncogenic G12D mutation alters local conformations and dynamics of K-Ras

S Vatansever, B Erman, ZH Gümüş - Scientific reports, 2019 - nature.com
K-Ras is the most frequently mutated oncoprotein in human cancers, and G12D is its most
prevalent mutation. To understand how G12D mutation impacts K-Ras function, we need to …

Entropy transfer between residue pairs and allostery in proteins: quantifying allosteric communication in ubiquitin

A Hacisuleyman, B Erman - PLoS computational biology, 2017 - journals.plos.org
It has recently been proposed by Gunasakaran et al. that allostery may be an intrinsic
property of all proteins. Here, we develop a computational method that can determine and …

[HTML][HTML] Comparative effects of oncogenic mutations G12C, G12V, G13D, and Q61H on local conformations and dynamics of K-Ras

S Vatansever, B Erman, ZH Gümüş - Computational and structural …, 2020 - Elsevier
K-Ras is the most frequently mutated protein in human cancers. However, until very recently,
its oncogenic mutants were viewed as undruggable. To develop inhibitors that directly target …