2qpl: Difference between revisions
New page: left|200px<br /><applet load="2qpl" size="350" color="white" frame="true" align="right" spinBox="true" caption="2qpl, resolution 2.10Å" /> '''Crystal structure of... |
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==Overview== | ==Overview== | ||
The combined use of a rapid virtual screen of a small fragment library | The combined use of a rapid virtual screen of a small fragment library together with a single point enzyme assay has been used for the discovery of novel PNP inhibitors. The availability of readily soakable crystals of bovine PNP has allowed the approach to be experimentally validated by determining the crystal structure of one of the inhibitor-PNP complexes. Comparison of the experimentally determined binding mode with that predicted by the virtual screening shows them to be similar. This represents a starting point for the growth of the ligand into a higher affinity inhibitor. | ||
==About this Structure== | ==About this Structure== | ||
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[[Category: Berdini, V.]] | [[Category: Berdini, V.]] | ||
[[Category: Cleasby, A.]] | [[Category: Cleasby, A.]] | ||
[[Category: Garratt, R | [[Category: Garratt, R C.]] | ||
[[Category: Pereira, H | [[Category: Pereira, H M.]] | ||
[[Category: BTY]] | [[Category: BTY]] | ||
[[Category: MG]] | [[Category: MG]] | ||
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[[Category: transferase]] | [[Category: transferase]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:41:11 2008'' | ||
