2p4d
From Proteopedia
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|PDB= 2p4d |SIZE=350|CAPTION= <scene name='initialview01'>2p4d</scene>, resolution 1.800Å | |PDB= 2p4d |SIZE=350|CAPTION= <scene name='initialview01'>2p4d</scene>, resolution 1.800Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2p4d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2p4d OCA], [http://www.ebi.ac.uk/pdbsum/2p4d PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2p4d RCSB]</span> | ||
}} | }} | ||
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[[Category: small pox]] | [[Category: small pox]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:29:05 2008'' |
Revision as of 01:29, 31 March 2008
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| , resolution 1.800Å | |||||||
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| Ligands: | |||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Structure-assisted discovery of Variola major H1 phosphatase inhibitors
Overview
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
2P4D is a Single protein structure of sequence from Variola virus. Full crystallographic information is available from OCA.
Reference
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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