Results 71 to 80 of about 137,279 (309)

Deciphering the Allosteric Process of Phaeodactylum tricornutum Aureochrome 1a LOV Domain

, 2020
The conformational-driven allosteric protein diatom Phaeodactylum tricornutum aureochrome 1a (PtAu1a) di ers from other light-oxygen-voltage (LOV) proteins for its uncommon structural topology. The mechanism of signaling transduction in PtAu1a LOV domain
Francesco, Trozzi, Peng, Tao, Hao, Tian, Brian, Zoltowski   +3 more
core   +1 more source

Allosteric Modulation of PCSK9-LDLR Interaction: Can Structureless Loops be Drug Targets?

, 2022
While most of the drugs available in the market are competitive inhibitors, there is a rapidly growing interest in development of allosteric drugs, particularly to inhibit protein-protein interactions (PPI) with large interaction surface area.
Suman, Chakrabarty, Zacharia , Shah, Salim , Shah, Krishnendu , Sinha, Ipsita, Basu   +4 more
core   +1 more source

Analysing the significance of small conformational changes and low occupancy states in serial crystallographic data

FEBS Open Bio, EarlyView.
This protocol paper outlines methods to establish the success of a time‐resolved serial crystallographic experiment, by means of statistical analysis of timepoint data in reciprocal space and models in real space. We show how to amplify the signal from excited states to visualise structural changes in successful experiments.
Jake Hill, Yelyzaveta Pulnova, Elke De Zitter, Helen M. Ginn, Briony A. Yorke   +4 more
wiley   +1 more source

Coarse-grained models of biomolecule dynamics and allostery [PDF]

, 2010
Recently, it has become increasingly accepted that thermal fluctuations take active part in functional tasks of biological molecules. We employ a set of coarse-grained models to investigate the mechanism of transmission of allosteric signal via spatial ...
Toncrova, Hedvika
core  

Mass spectrometry based identification of AMP‐O‐Tris generated by Thermococcus onnurineus Cas10

FEBS Open Bio, EarlyView.
Isolated Thermococcus onnurineus Cas10 generates the noncanonical ATP‐derived product AMP‐O‐Tris while in Tris‐containing buffer as identified via mass spectrometry, revealing relaxed nucleophile selectivity under isolated conditions. These findings suggest that multiprotein Csm complex assembly restricts Cas10 reactivity toward canonical cyclic ...
Su‐Jin Lee, Ga Seul Lee, JinHan Kim, Kwang‐Hyun Park, Seong‐Ryung Go, Jeong Hee Moon, Eui‐Jeon Woo   +6 more
wiley   +1 more source

Advances in the allostery of angiotensin II type 1 receptor

Cell & Bioscience, 2023
Angiotensin II type 1 receptor (AT1R) is a promising therapeutic target for cardiovascular diseases. Compared with orthosteric ligands, allosteric modulators attract considerable attention for drug development due to their unique advantages of high ...
Xi Zhang, Suli Zhang, Meili Wang, Hao Chen, Huirong Liu   +4 more
doaj   +1 more source

Allosteric activation mechanism of bovine chymosin revealed by bias-exchange metadynamics and molecular dynamics simulations

, 2016
The aspartic protease, bovine chymosin, catalyses the proteolysis of κ-casein proteins in milk. The bovine chymosin–κ-casein complex is of industrial interest as the enzyme is widely employed in the manufacturing of processed dairy products. The apo form
Andrea Coletta, Samiul M. Ansari, David S. Palmer (1328991), Ansari, Samiul M., Kirkeby Skeby, Katrine, Coletta, Andrea, David S. Palmer, Katrine Kirkeby Skeby, Schiøtt, Birgit, Jesper Sørensen (585532), Samiul M. Ansari (3182907), Jesper Sørensen, Palmer, David S., Sørensen, Jesper, Birgit Schiøtt (199293), Andrea Coletta (115142), Birgit Schiøtt, Katrine Kirkeby Skeby (3182910)   +17 more
core   +1 more source

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

FEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young, Omar Arias‐Gaguancela, Fiona Gibson, Morgan Grainger, Jodie Score, Amit Nathubhai, Mauricio Cafiero, Lee Richard Machado   +7 more
wiley   +1 more source

Aiming for allosterism: Evaluation of allosteric modulators of CB1 in a neuronal model [PDF]

Pharmacological Research, 2015
Cannabinoid pharmacology has proven nettlesome with issues of promiscuity a common theme among both agonists and antagonists. One recourse is to develop allosteric ligands to modulate cannabinoid receptor signaling. Cannabinoids have come late to the allosteric table.
Alex, Straiker, José, Mitjavila, Danielle, Yin, Anne, Gibson, Ken, Mackie   +4 more
openaire   +2 more sources

Mutant NPM1 in Acute Myeloid Leukemia Initiation and Maintenance

Aging and Cancer, EarlyView.
NPM1 mutations drive acute myeloid leukemia by acting as neomorphic transcriptional regulators that cooperate with Menin–MLL and XPO1 to sustain HOX/MEIS1 expression and block differentiation. Targeting these mutant‐specific transcriptional dependencies provides a rational therapeutic strategy for NPM1‐mutated AML.
Yanan Jiang, Zhong Fan, Runmeng Liu, Xiaotian Zhang   +3 more
wiley   +1 more source