2obj
From Proteopedia
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|PDB= 2obj |SIZE=350|CAPTION= <scene name='initialview01'>2obj</scene>, resolution 2.5Å | |PDB= 2obj |SIZE=350|CAPTION= <scene name='initialview01'>2obj</scene>, resolution 2.5Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=VRV:6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE'>VRV</scene> | + | |LIGAND= <scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=VRV:6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE'>VRV</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1xqz|1XQZ]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2obj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2obj OCA], [http://www.ebi.ac.uk/pdbsum/2obj PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2obj RCSB]</span> | ||
}} | }} | ||
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[[Category: Yan, S.]] | [[Category: Yan, S.]] | ||
[[Category: Yao, N.]] | [[Category: Yao, N.]] | ||
| - | [[Category: VRV]] | ||
[[Category: human pim-1 kinase]] | [[Category: human pim-1 kinase]] | ||
[[Category: kinase inhibitor]] | [[Category: kinase inhibitor]] | ||
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[[Category: serine/threonine kinase]] | [[Category: serine/threonine kinase]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:15:24 2008'' |
Revision as of 01:15, 31 March 2008
| |||||||
| , resolution 2.5Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Activity: | Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 | ||||||
| Related: | 1XQZ
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal structure of human PIM-1 Kinase in complex with inhibitor
Overview
A novel series of highly potent substituted pyridone Pim-1 kinase inhibitors is described. Structural requirements for in vitro activity are outlined as well as a complex crystal structure with the most potent Pim-1 inhibitor reported (IC(50)=50 nM). A hydrogen bond matrix involving the Pim-1 inhibitor, two water molecules, and the catalytic core, together with a potential weak hydrogen bond between an aromatic hydrogen on the R(1) phenyl ring and a main-chain carbonyl of Pim-1, accounts for the overall potency of this inhibitor.
About this Structure
2OBJ is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Identification and structure-activity relationships of substituted pyridones as inhibitors of Pim-1 kinase., Cheney IW, Yan S, Appleby T, Walker H, Vo T, Yao N, Hamatake R, Hong Z, Wu JZ, Bioorg Med Chem Lett. 2007 Mar 15;17(6):1679-83. Epub 2007 Jan 4. PMID:17251021
Page seeded by OCA on Mon Mar 31 04:15:24 2008
