3bgq: Difference between revisions

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[[Image:3bgq.gif|left|200px]]
{{Seed}}
[[Image:3bgq.png|left|200px]]


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{{STRUCTURE_3bgq|  PDB=3bgq  |  SCENE=  }}  
{{STRUCTURE_3bgq|  PDB=3bgq  |  SCENE=  }}  


'''Human Pim-1 kinase in complex with an triazolo pyridazine inhibitor VX2'''
===Human Pim-1 kinase in complex with an triazolo pyridazine inhibitor VX2===




==Overview==
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To supplement the hits from a high throughput screen, docking was performed against Pim-1 kinase. Glide docking was augmented with a filter to require traditional or aromatic CH..O hydrogen bonds to the kinase hinge. Four diverse actives, of 96 molecules assayed, had K(i) values between 0.091 and 4.5 microM. This gives a 14-fold enrichment over the earlier HTS run, and the two crystal structures solved confirmed the binding modes predicted by docking.
The line below this paragraph, {{ABSTRACT_PUBMED_18290603}}, adds the Publication Abstract to the page
(as it appears on PubMed at http://www.pubmed.gov), where 18290603 is the PubMed ID number.
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{{ABSTRACT_PUBMED_18290603}}


==About this Structure==
==About this Structure==
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[[Category: Serine/threonine-protein kinase]]
[[Category: Serine/threonine-protein kinase]]
[[Category: Transferase]]
[[Category: Transferase]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Apr 30 13:38:49 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 07:18:30 2008''
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