Crystal structure of Plasmodium falciparum adenosine deaminase reveals a novel binding pocket for inosine.
Sign Up to like & getrecommendations! Published in 2019 at "Archives of biochemistry and biophysics"
DOI: 10.1016/j.abb.2019.04.002
Abstract: Plasmodium falciparum (Pf), a malarial pathogen, can only synthesize purine nucleotides employing a salvage pathway because it lacks de novo biosynthesis. Adenosine deaminase (ADA), one of the three purine salvage enzymes, catalyzes the irreversible hydrolytic… read more here.
Keywords: binding pocket; plasmodium falciparum; structure; plasmodium ... See more keywords
Global alteration of the drug-binding pocket of human P-glycoprotein (ABCB1) by substitution of fifteen conserved residues reveals a negative correlation between substrate size and transport efficiency.
Sign Up to like & getrecommendations! Published in 2017 at "Biochemical pharmacology"
DOI: 10.1016/j.bcp.2017.07.014
Abstract: P-glycoprotein (P-gp), an ATP-dependent efflux pump, is linked to the development of multidrug resistance in cancer cells. However, the drug-binding sites and translocation pathways of this transporter are not yet well-characterized. We recently demonstrated the… read more here.
Keywords: drug binding; binding pocket; transport; tyrosine ... See more keywords
Mutation and evolution of metallo-beta-lactamase CphA under the selective pressure of biapenem continuous concentration gradient.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of inorganic biochemistry"
DOI: 10.1016/j.jinorgbio.2022.111776
Abstract: One of the resistance mechanisms of superbugs is to hydrolyze antibiotics by producing metallo-β-lactamases (MβLs). To verify how MβLs evolved to increase in activity in response to various β-lactam antibiotics, the mutation and evolution of… read more here.
Keywords: cpha; metallo; mutation evolution; binding pocket ... See more keywords
Structural modulation of a periplasmic sugar-binding protein probes into its evolutionary ancestry.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of structural biology"
DOI: 10.1016/j.jsb.2018.09.006
Abstract: Substrate-binding proteins (SBPs) are periplasmic proteins consisting of two α/β domains joined by a hinge region with specificity towards cognate ligands. Based on three-dimensional fold, sugar-specific SBPs have been classified into cluster B and cluster… read more here.
Keywords: binding pocket; sbps; binding protein; sugar binding ... See more keywords
An Intracellular Allosteric Modulator Binding Pocket in SK2 Ion Channels Is Shared by Multiple Chemotypes.
Sign Up to like & getrecommendations! Published in 2018 at "Structure"
DOI: 10.1016/j.str.2018.02.017
Abstract: Small conductance potassium (SK) ion channels define neuronal firing rates by conducting the after-hyperpolarization current. They are key targets in developing therapies where neuronal firing rates are dysfunctional, such as in epilepsy, Parkinson's, and amyotrophic… read more here.
Keywords: intracellular allosteric; binding pocket; ion channels; shared multiple ... See more keywords
Structure-guided reshaping of the acyl binding pocket of 'TesA thioesterase enhances octanoic acid production in E. coli.
Sign Up to like & getrecommendations! Published in 2020 at "Metabolic engineering"
DOI: 10.1016/j.ymben.2020.04.010
Abstract: Medium-chain fatty acids (C6-C10) have attracted much attention recently for their unique properties compared to their long-chain counterparts, including low melting points and relatively higher carbon conversion yield. Thioesterase enzymes, which can catalyze the hydrolysis… read more here.
Keywords: chain; production; binding pocket; acyl ... See more keywords
Unique Retinal Binding Pocket of Primate Blue-Sensitive Visual Pigment.
Sign Up to like & getrecommendations! Published in 2020 at "Biochemistry"
DOI: 10.1021/acs.biochem.0c00394
Abstract: The visual pigments of humans contain 11-cis retinal as the chromophore of light perception, and its photoisomerization to the all-trans form initiates visual excitation in our eyes. It is well known that three isomeric states… read more here.
Keywords: cis; unique retinal; cis form; binding pocket ... See more keywords
Comparative Studies of Potential Binding Pocket Residues Reveal the Molecular Basis of ShHTL Receptors in the Perception of GR24 in Striga.
Sign Up to like & getrecommendations! Published in 2020 at "Journal of agricultural and food chemistry"
DOI: 10.1021/acs.jafc.0c04947
Abstract: Root parasitic weeds such as Striga spp. have caused significant losses in agriculture production worldwide. The seed germination of the weeds depends on strigolactones (SLs) that target a series of HYPOSENSITIVE TO LIGHT/KARRIKIN INSENSITIVE2 in… read more here.
Keywords: binding pocket; shhtl receptors; pocket residues; shhtl ... See more keywords
Determination of Molecule Category of Ligands Targeting the Ligand-Binding Pocket of Nuclear Receptors with Structural Elucidation and Machine Learning
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c00851
Abstract: The mechanism of transcriptional activation/repression of the nuclear receptors (NRs) involves two main conformations of the NR protein, namely, the active (agonistic) and inactive (antagonistic) conformations. Binding of agonists or antagonists to the ligand-binding pocket… read more here.
Keywords: nuclear receptors; ligand binding; machine learning; category ligands ... See more keywords
Prediction of the Favorable Hydration Sites in a Protein Binding Pocket and Its Application to Scoring Function Formulation
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.9b00619
Abstract: The important role of water molecules in protein-ligand binding energetics has attracted wide attention in recent years. A range of computational methods have been developed to predict the favorable locations of water molecules in a… read more here.
Keywords: scoring functions; binding pocket; water; hydration sites ... See more keywords
Druggability Assessment in TRAPP Using Machine Learning Approaches
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.9b01185
Abstract: Accurate protein druggability predictions are important for the selection of drug targets in the early stages of drug discovery. Due to the flexible nature of proteins, the druggability of a binding pocket may vary due… read more here.
Keywords: trapp; binding pocket; trapp using; druggability ... See more keywords