Broken-Symmetry DFT Computations for the Reaction Pathway of IspH, an Iron–Sulfur Enzyme in Pathogenic Bacteria

[Image: see text] The recently discovered methylerythritol phosphate (MEP) pathway provides new targets for the development of antibacterial and antimalarial drugs. In the final step of the MEP pathway, the [4Fe–4S] IspH protein catalyzes the 2e(–)/2H(+) reductive dehydroxylation of (E)-4-hydroxy-3-...

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Publié dans:Inorg Chem
Auteurs principaux: Blachly, Patrick G., Sandala, Gregory M., Giammona, Debra Ann, Bashford, Donald, McCammon, J. Andrew, Noodleman, Louis
Format: Artigo
Langue:Inglês
Publié: American Chemical Society 2015
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC4568833/
https://ncbi.nlm.nih.gov/pubmed/26098647
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.inorgchem.5b00751
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