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The Nature of Allosteric Inhibition in Glutamate Racemase: discovery and characterization of a cryptic inhibitory pocket using atomistic MD simulations and pKa calculations

Enzyme inhibition via allostery, in which the ligand binds remotely from the active site, is a poorly understood phenomenon, and represents a significant challenge to structure-based drug design. Dipicolinic acid (DPA), a major component of Bacillus spores, is shown to inhibit glutamate racemase fro...

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Gorde:
Xehetasun bibliografikoak
Egile Nagusiak: Whalen, Katie L., Tussey, Kenneth B., Blanke, Steven R., Spies, M. Ashley
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2011
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC3072873/
https://ncbi.nlm.nih.gov/pubmed/21395329
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp201037t
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