Results 221 to 230 of about 81,932 (256)

Correlation Between Allosteric and Orthosteric Sites

2019
Correlation between an allosteric site and its orthosteric site refers to the phenomenon that perturbations like ligand binding, mutation, or posttranslational modifications at the allosteric site leverage variation in the orthosteric site. Understanding this kind of correlation not only helps to disclose how information is transmitted in allosteric ...
Weilin, Zhang, Juan, Xie, Luhua, Lai
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Characteristics of Allosteric Proteins, Sites, and Modulators

2019
Allostery is considered one of the most direct and efficient ways to regulate biological macromolecule functions. Allostery is increasingly receiving attention in the field of drug discovery because of the unique advantages of allosteric modulators such as high selectivity and low toxicity.
Xinheng, He, Duan, Ni, Shaoyong, Lu, Jian, Zhang   +3 more
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Identification of the Allosteric Regulatory Site in Bacterial Phosphoribulokinase

Biochemistry, 1999
Bacterial phosphoribulokinases (PRKs) are octameric members of the adenylate kinase family of enzymes. The enzyme is allosterically activated by NADH and allosterically inhibited by AMP. We have determined the crystal structure of PRK from Rhodobacter sphaeroides bound to the ATP analogue AMP-PCP to a resolution of 2.6 A. The structure reveals that the
G, Kung, J A, Runquist, H M, Miziorko, D H, Harrison   +3 more
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Characterization of the CHK1 Allosteric Inhibitor Binding Site

Biochemistry, 2009
Checkpoint kinase 1 (CHK1) is a key element in the DNA damage response pathway and plays a crucial role in the S-G(2)-phase checkpoint. Inhibiting CHK1 is a therapeutic strategy involving abrogation of the G2/M mitotic checkpoint defense of tumor cells toward lethal damage induced by DNA-directed chemotherapeutic agents.
Darin, Vanderpool, Ted O, Johnson, Chen, Ping, Simon, Bergqvist, Gordon, Alton, Soneprasith, Phonephaly, Eugene, Rui, Chun, Luo, Ya-Li, Deng, Stephan, Grant, Terri, Quenzer, Steve, Margosiak, James, Register, Ed, Brown, Jacques, Ermolieff   +14 more
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Chemogenomics of allosteric binding sites in GPCRs

Drug Discovery Today: Technologies, 2013
Chemogenomic techniques connect the chemical and biological domains to establish ligand and target relationships not evident from the individual disciplines. Chemogenomics has been applied in lead generation, target classification, focused library design as well as selectivity and polypharmacology profiling.
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Evolution of a kinase allosteric site

Science, 2020
Enzyme Regulation Enzyme activity is often regulated by conformational changes coupled to binding of an effector at an allosteric site, a feature especially important for enzymes involved in signaling cascades. Hadzipasic et al. studied the origins of allosteric regulation of Aurora A, a kinase involved in progression of the eukaryotic cell cycle ...
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Using microenvironments to identify allosteric binding sites

2012 IEEE International Conference on Bioinformatics and Biomedicine, 2012
Protein amino acid residues can be classified by their chemical properties and data mining can be used to make predictions about their structure and function. However, the properties of the surrounding residues contribute to the overall chemical context. This paper defines microenvironments as the spherical volume around a point in space and uses these
Foley, Christopher Eric, Al Azwari, Sana Mohammad M, Dufton, Mark, Wilson, John   +3 more
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Improved Method for the Identification and Validation of Allosteric Sites

Journal of Chemical Information and Modeling, 2017
Allosteric regulation induced by modulators binding to different, often distant, allosteric sites allows for exquisite control of protein functional activity. The structural diversity of allosteric sites endows allosteric modulators with high selectivity and low toxicity.
Kun Song 0003, Xinyi Liu 0003, Wenkang Huang, Shaoyong Lu, Qiancheng Shen, Lu Zhang, Jian Zhang 0037   +6 more
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Allosteric Site Inhibitors for Caspases

Science's STKE, 2004
The active sites of proteins with enzymatic activity are not always suitable for drug targeting. Hardy et al. report the application of a method called "Tethering" to identify an allosteric site inhibitor on the executioner caspases, caspase-3. Tethering, a commercial method, uses reversible disulfide bond formation
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Sequence and Structure-based Prediction of Allosteric Sites

Journal of Molecular Biology
Allosteric regulation in proteins is a critical aspect of cellular function, influencing various biological processes through conformational or dynamic changes induced by effector molecules. Allosteric drugs possess significant therapeutic value due to their unique advantages, such as high specificity and diverse regulatory types, yet their presence in
Juan Xie, Gaoxiang Pan, Luhua Lai
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