Liquid and hydrogel phases of PrPC linked to conformation shifts and triggered by Alzheimer's amyloid-β oligomers
MA Kostylev, MD Tuttle, S Lee, LE Klein, H Takahashi… - Molecular cell, 2018 - cell.com
Protein phase separation by low-complexity, intrinsically disordered domains generates
membraneless organelles and links to neurodegeneration. Cellular prion protein (PrP C) …
membraneless organelles and links to neurodegeneration. Cellular prion protein (PrP C) …
Catalytic mechanism of ATP hydrolysis in the ATPase domain of human DNA topoisomerase IIα
M Ogrizek, M Janezic, K Valjavec… - Journal of chemical …, 2022 - ACS Publications
Human DNA topoisomerase IIα is a biological nanomachine that regulates the topological
changes of the DNA molecule and is considered a prime target for anticancer drugs. Despite …
changes of the DNA molecule and is considered a prime target for anticancer drugs. Despite …
NMR methods for characterizing the basic side chains of proteins: electrostatic interactions, hydrogen bonds, and conformational dynamics
NMR spectroscopy is a powerful tool for studying protein dynamics. Conventionally, NMR
studies on protein dynamics have probed motions of protein backbone NH, side-chain …
studies on protein dynamics have probed motions of protein backbone NH, side-chain …
Assessment of the components of the electrostatic potential of proteins in solution: comparing experiment and theory
In this work, the components of the protein electrostatic potentials in solution are analyzed
with NMR paramagnetic relaxation enhancement experiments and compared with …
with NMR paramagnetic relaxation enhancement experiments and compared with …
Structural and functional features of a class VI chitinase from cashew (Anacardium occidentale L.) with antifungal properties
ST Oliveira, MIG Azevedo, RMS Cunha, CFB Silva… - Phytochemistry, 2020 - Elsevier
A partial cDNA sequence from Anacardium occidentale CCP 76 was obtained, encoding a
GH19 chitinase (AoChi) belonging to class VI. AoChi exhibits distinct structural features in …
GH19 chitinase (AoChi) belonging to class VI. AoChi exhibits distinct structural features in …
q-Canonical Monte Carlo Sampling for Modeling the Linkage between Charge Regulation and Conformational Equilibria of Peptides
The overall charge content and the patterning of charged residues have a profound impact
on the conformational ensembles adopted by intrinsically disordered proteins. These …
on the conformational ensembles adopted by intrinsically disordered proteins. These …
UCBShift 2.0: Bridging the Gap from Backbone to Side Chain Protein Chemical Shift Prediction for Protein Structures
Chemical shifts are a readily obtainable NMR observable that can be measured with high
accuracy, and because they are sensitive to conformational averages and the local …
accuracy, and because they are sensitive to conformational averages and the local …
Active site center redesign increases protein stability preserving catalysis in thioredoxin
ML Romero, H Garcia Seisdedos… - Protein …, 2022 - Wiley Online Library
The stabilization of natural proteins is a long‐standing desired goal in protein engineering.
Optimizing the hydrophobicity of the protein core often results in extensive stability …
Optimizing the hydrophobicity of the protein core often results in extensive stability …
Reservoir pH replica exchange
We present the reservoir pH replica exchange (R-pH-REM) method for constant pH
simulations. The R-pH-REM method consists of a two-step procedure; the first step involves …
simulations. The R-pH-REM method consists of a two-step procedure; the first step involves …
PKAD-2: new entries and expansion of functionalities of the database of experimentally measured pKa's of proteins
Almost all biological reactions are pH-dependent and understanding the origin of pH
dependence requires knowledge of the pKa's of ionizable groups. Here, we report a new …
dependence requires knowledge of the pKa's of ionizable groups. Here, we report a new …