1q4w: Difference between revisions

Revision as of 16:08, 29 July 2008

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File:1q4w.png

Template:STRUCTURE 1q4w

CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2,6-DIAMINO-3H-QUINAZOLIN-4-ONECRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE

Template:ABSTRACT PUBMED 15050823

About this StructureAbout this Structure

1Q4W is a Single protein structure of sequence from Zymomonas mobilis. Full crystallographic information is available from OCA.

ReferenceReference

Crystallographic study of inhibitors of tRNA-guanine transglycosylase suggests a new structure-based pharmacophore for virtual screening., Brenk R, Meyer EA, Reuter K, Stubbs MT, Garcia GA, Diederich F, Klebe G, J Mol Biol. 2004 Apr 16;338(1):55-75. PMID:15050823

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Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

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-'''CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE'''
+===CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE===
-==Overview==
+<!--
-The enzyme tRNA-guanine transglycosylase (TGT) is involved in the pathogenicity of Shigellae. As the crystal structure of this protein is known, it is a putative target for the structure-based design of inhibitors. Here we report a crystallographic study of several new ligands exhibiting a 2,6-diamino-3H-quinazolin-4-one scaffold, which has been shown recently to be a promising template for TGT-inhibitors. Crystal structure analysis of these complexes has revealed an unexpected movement of the side-chain of Asp102. A detailed analysis of the water network disrupted by this rotation has lead to the derivation of a new composite pharmacophore. A virtual screening has been performed based on this pharmacophore hypothesis and several new inhibitors of micromolar binding affinity with new skeletons have been discovered.
+The line below this paragraph, {{ABSTRACT_PUBMED_15050823}}, adds the Publication Abstract to the page
+(as it appears on PubMed at http://www.pubmed.gov), where 15050823 is the PubMed ID number.
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+{{ABSTRACT_PUBMED_15050823}}
 ==About this Structure==
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 [[Category: Stubbs, M T.]]
 [[Category: Transferase]]
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