Results 181 to 190 of about 81,932 (256)

Finely ordered intracellular domain harbors an allosteric site to modulate physiopathological function of P2X3 receptors. [PDF]

Nat Commun
Lin YY, Lu Y, Li CY, Ma XF, Shao MQ, Gao YH, Zhang YQ, Jiang HN, Liu Y, Yang Y, Huang LD, Cao P, Wang HS, Wang J, Yu Y.   +14 more
europepmc   +1 more source

In Silico Structure‐Guided Design of Peptide Candidates Targeting γ‐Secretase Subunit Assembly

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT The γ‐secretase complex is a membrane‐embedded protease essential for intramembrane cleavage of substrates such as Notch receptors and the amyloid precursor protein (APP), processes central to cancer progression and Alzheimer's disease (AD) pathology.
Selcen Arı Yuka, Kübra Telli, Alper Yılmaz   +2 more
wiley   +1 more source

Exploring an Intracellular Allosteric Site of CC-Chemokine Receptor 4 from 3D Models, Probe Simulations, and Mutagenesis. [PDF]

ACS Pharmacol Transl Sci
Ding T, Guseinov AA, Milligan G, Plouffe B, Tikhonova IG.   +4 more
europepmc   +1 more source

Generalizing the Gaussian Network Model: Spanning‐Tree Thermodynamics Shows Entropy‐Driven KRAS Activation

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT The GTPase KRAS executes a conformational switch between a GTP‐bound active state and a GDP‐bound inactive state, a process central to oncogenic signaling. However, the structural basis of this switching at the level of residue‐contact organization remains incompletely characterized by traditional binary structural models.
Fatma Senguler Ciftci, Burak Erman
wiley   +1 more source

Structural Insights Into the Function of Leishmania major Adenylosuccinate Lyase

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT One of several intriguing aspects of kinetoplastid biochemistry is the complete dependence on host purines and purine recycling due to the lack of a de novo purine biosynthesis pathway. Adenylosuccinate lyase (ASL, EC 4.3.2.2) is a key enzyme in the purine synthesis pathway responsible for the conversion of adenylosuccinate into adenosine ...
Ivan R. e Silva, Monique Mantovani, Maria E. S. D. Lino, Aline O. Albuquerque, João H. M. da Silva, Ronaldo A. P. Nagem, Adriana L. Rojas, Geraldo R. Sartori, Eduardo Horjales, David Campbell, Otavio H. Thiemann   +10 more
wiley   +1 more source

Protein allosteric site identification using machine learning and per amino acid residue reported internal protein nanoenvironment descriptors. [PDF]

Comput Struct Biotechnol J
Omage FB, Salim JA, Mazoni I, Yano IH, Borro L, Gonzalez JEH, de Moraes FR, Giachetto PF, Tasic L, Arni RK, Neshich G.   +10 more
europepmc   +1 more source

The continuing significance of chiral agrochemicals

Pest Management Science, Volume 81, Issue 4, Page 1697-1716, April 2025.
In the time frame 2018–2023, around 43% of the 35 chiral agrochemicals introduced to the market (herbicides, fungicides, insecticides, acaricides, and nematicides) contain one or more stereogenic centers in the molecule, and almost 69% of them have been marketed as racemic mixtures of enantiomers or stereoisomers.
Peter Jeschke
wiley   +1 more source

Inhibitors of BRAF dimers using an allosteric site. [PDF]

Nat Commun, 2020
Cotto-Rios XM, Agianian B, Gitego N, Gitego N, Zacharioudakis E, Giricz O, Wu Y, Zou Y, Verma A, Poulikakos PI, Gavathiotis E.   +10 more
europepmc   +1 more source

Peptide‐Ligand Cooperative Interplay Drives Gold Nanoparticle Encapsulation by Protein Cages

Small, EarlyView.
Gold nanoparticle encapsulation within protein cages is governed by salt‐dependent binding energetics and cooperative peptide–ligand interactions. Ligands enhance electrostatic attraction while peptides extend recruitment and prevent kinetic trapping, enabling robust cargo loading. This molecular‐level insight links experiments and simulations, guiding
Wenhui Li, Niklas Mucke, Michael Rütten, Tommaso L. Schweers, Tobias Beck, Vikram Jadhao   +5 more
wiley   +1 more source

Identification of the pyridoxal 5'-phosphate allosteric site in human pyridox(am)ine 5'-phosphate oxidase. [PDF]

Protein Sci
Barile A, Graziani C, Antonelli L, Parroni A, Fiorillo A, di Salvo ML, Ilari A, Giorgi A, Rosignoli S, Paiardini A, Contestabile R, Tramonti A.   +11 more
europepmc   +1 more source