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3bgp

From Proteopedia

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[[Image:3bgp.gif|left|200px]]
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{{STRUCTURE_3bgp| PDB=3bgp | SCENE= }}
{{STRUCTURE_3bgp| PDB=3bgp | SCENE= }}
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'''Human Pim-1 complexed with a benzoisoxazole inhibitor VX1'''
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===Human Pim-1 complexed with a benzoisoxazole inhibitor VX1===
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==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.
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(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]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Apr 30 13:38:41 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 20:32:11 2008''

Revision as of 17:32, 28 July 2008

Image:3bgp.png

Template:STRUCTURE 3bgp

Human Pim-1 complexed with a benzoisoxazole inhibitor VX1

Template:ABSTRACT PUBMED 18290603

About this Structure

3BGP is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Docking study yields four novel inhibitors of the protooncogene Pim-1 kinase., Pierce AC, Jacobs M, Stuver-Moody C, J Med Chem. 2008 Mar 27;51(6):1972-5. Epub 2008 Feb 22. PMID:18290603

Page seeded by OCA on Mon Jul 28 20:32:11 2008

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