2p4d: Difference between revisions
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==Overview== | ==Overview== | ||
Variola major virus, the causative agent of smallpox, encodes the | Variola major virus, the causative agent of smallpox, encodes the dual-specificity H1 phosphatase. Because this enzyme is essential for the production of mature virus particles, it is an attractive molecular target for the development of therapeutic countermeasures for this potential agent of bioterrorism. As a first step in this direction, the crystal structure of H1 phosphatase has been determined at a resolution of 1.8 A. In silico screening methods have led to the identification of several small molecules that inhibit Variola H1 phosphatase with IC(50) values in the low micromolar range. These molecules provide novel leads for future drug development. | ||
==About this Structure== | ==About this Structure== | ||
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[[Category: Variola virus]] | [[Category: Variola virus]] | ||
[[Category: Phan, J.]] | [[Category: Phan, J.]] | ||
[[Category: Tropea, J | [[Category: Tropea, J E.]] | ||
[[Category: Waugh, D | [[Category: Waugh, D S.]] | ||
[[Category: drug design]] | [[Category: drug design]] | ||
[[Category: dual specificity phosphatase]] | [[Category: dual specificity phosphatase]] | ||
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[[Category: small pox]] | [[Category: small pox]] | ||
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Revision as of 19:25, 21 February 2008
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Structure-assisted discovery of Variola major H1 phosphatase inhibitors
OverviewOverview
Variola major virus, the causative agent of smallpox, encodes the dual-specificity H1 phosphatase. Because this enzyme is essential for the production of mature virus particles, it is an attractive molecular target for the development of therapeutic countermeasures for this potential agent of bioterrorism. As a first step in this direction, the crystal structure of H1 phosphatase has been determined at a resolution of 1.8 A. In silico screening methods have led to the identification of several small molecules that inhibit Variola H1 phosphatase with IC(50) values in the low micromolar range. These molecules provide novel leads for future drug development.
About this StructureAbout this Structure
2P4D is a Single protein structure of sequence from Variola virus. Full crystallographic information is available from OCA.
ReferenceReference
Structure-assisted discovery of Variola major H1 phosphatase inhibitors., Phan J, Tropea JE, Waugh DS, Acta Crystallogr D Biol Crystallogr. 2007 Jun;63(Pt 6):698-704. Epub 2007, May 15. PMID:17505108
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