4br3
From Proteopedia
(Difference between revisions)
| Line 1: | Line 1: | ||
| - | + | ==Determination of potential scaffolds for human choline kinase alpha 1 by chemical deconvolution studies== | |
| - | + | <StructureSection load='4br3' size='340' side='right' caption='[[4br3]], [[Resolution|resolution]] 2.20Å' scene=''> | |
| - | + | == Structural highlights == | |
| + | <table><tr><td colspan='2'>[[4br3]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BR3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BR3 FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=A4V:3-BENZYLADENINE'>A4V</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=U85:1-((4-((6-AMINO-3H-PURIN-3-YL)METHYL)BIPHENYL-4-YL)METHYL)-4-(DIMETHYLAMINO)PYRIDINIUM'>U85</scene></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4br3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4br3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4br3 RCSB], [http://www.ebi.ac.uk/pdbsum/4br3 PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Dual binding modes: Combined empirical and computational studies of a series of compounds showed adenine and 1-benzyl-4-(dimethylamino)pyridinium fragments to function most efficiently in binding CHOKalpha1, and also determined how the latter fragment interacts with the choline binding site through two different binding modes. These data provide a basis for the future design of better and more selective inhibitors. | ||
| - | + | Determination of Potential Scaffolds for Human Choline Kinase alpha1 by Chemical Deconvolution Studies.,Sahun-Roncero M, Rubio-Ruiz B, Conejo-Garcia A, Velazquez-Campoy A, Entrena A, Hurtado-Guerrero R Chembiochem. 2013 Jun 28. doi: 10.1002/cbic.201300195. PMID:23813777<ref>PMID:23813777</ref> | |
| - | + | ||
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | == | + | ==See Also== |
| - | + | *[[Choline kinase|Choline kinase]] | |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
| - | [[Category: Entrena, A | + | [[Category: Entrena, A]] |
| - | [[Category: Garcia, A Conejo- | + | [[Category: Garcia, A Conejo-]] |
| - | [[Category: Hurtado-Guerrero, R | + | [[Category: Hurtado-Guerrero, R]] |
| - | [[Category: Rubio-Ruiz, B | + | [[Category: Rubio-Ruiz, B]] |
| - | [[Category: Sahun-Roncero, M | + | [[Category: Sahun-Roncero, M]] |
| - | [[Category: Velazquez-Campoy, A | + | [[Category: Velazquez-Campoy, A]] |
[[Category: Transferase]] | [[Category: Transferase]] | ||
Revision as of 09:50, 21 December 2014
Determination of potential scaffolds for human choline kinase alpha 1 by chemical deconvolution studies
| |||||||||||
