Results 11 to 20 of about 149,452 (339)
PASSer: Prediction of Allosteric Sites Server [PDF]
Machine Learning: Science and Technology, 2020 Allostery is considered important in regulating protein's activity. Drug development depends on the understanding of allosteric mechanisms, especially the identification of allosteric sites, which is prerequisite in drug discovery and design. Many computational methods have been developed for allosteric site prediction using pocket features and ...
Hao Tian, Xi Jiang, Peng Tao
openalex +4 more sources
Allosteric modulation of dextromethorphan binding sites
Neuropharmacology, 1987 The nonopioid antitussives dextromethorphan (DM), carbetapentane and caramiphen are efficacious anticonvulsant agents in the rat MES test. The findings presented strongly suggest the existence of a novel allosteric mechanism by which drugs acting at two different but interacting sites, exert their effects.
J M Musacchio +2 more
openalex +3 more sources
Allosteric site variants affect GTP hydrolysis on Ras. [PDF]
Protein Sci, 2023 AbstractRAS GTPases are proto-oncoproteins that regulate cell growth, proliferation, and differentiation in response to extracellular signals. The signaling functions of RAS, and other small GTPases, are dependent on their ability to cycle between GDP-bound and GTP-bound states.
Johnson CW +4 more
europepmc +3 more sources
Druggable Allosteric Sites in β‐Propeller Lectins [PDF]
Angewandte Chemie International Edition, 2021 AbstractCarbohydrate‐binding proteins (lectins) are auspicious targets in drug discovery to combat antimicrobial resistance; however, their non‐carbohydrate drug‐like inhibitors are still unavailable. Here, we present a druggable pocket in a β‐propeller lectin BambL from Burkholderia ambifaria as a potential target for allosteric inhibitors.
Shanina, Elena +5 more
openaire +4 more sources
Structurally distributed surface sites tune allosteric regulation [PDF]
eLife, 2021 Our ability to rationally optimize allosteric regulation is limited by incomplete knowledge of the mutations that tune allostery. Are these mutations few or abundant, structurally localized or distributed? To examine this, we conducted saturation mutagenesis of a synthetic allosteric switch in which Dihydrofolate reductase (DHFR ...
James W. McCormick +4 more
openaire +3 more sources
Coevolution-based prediction of key allosteric residues for protein function regulation
eLife, 2023 Allostery is fundamental to many biological processes. Due to the distant regulation nature, how allosteric mutations, modifications, and effector binding impact protein function is difficult to forecast.
Juan Xie +4 more
doaj +1 more source
Autopromotion of K-Ras4B Feedback Activation Through an SOS-Mediated Long-Range Allosteric Effect
Frontiers in Molecular Biosciences, 2022 The Ras-specific guanine nucleotide exchange factors Son of Sevenless (SOS) regulates Ras activation by converting inactive GDP-bound to active GTP-bound states.
Xuan He +9 more
doaj +1 more source
DeepAllo: allosteric site prediction using protein language model (pLM) with multitask learning. [PDF]
BioinformaticsKhokhar M, Keskin O, Gursoy A.
europepmc +3 more sources
Glycine Transporter 2: Mechanism and Allosteric Modulation
Frontiers in Molecular Biosciences, 2021 Neurotransmitter sodium symporters (NSS) are a subfamily of SLC6 transporters responsible for regulating neurotransmitter signalling. They are a major target for psychoactive substances including antidepressants and drugs of abuse, prompting substantial ...
Zachary J. Frangos +2 more
doaj +1 more source
Molecules, 2022 Although the 3D structures of active and inactive cannabinoid receptors type 2 (CB2) are available, neither the X-ray crystal nor the cryo-EM structure of CB2-orthosteric ligand-modulator has been resolved, prohibiting the drug discovery and development ...
Jiayi Yuan +7 more
doaj +1 more source