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2oi4

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[[Image:2oi4.gif|left|200px]]<br /><applet load="2oi4" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2oi4.gif|left|200px]]
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caption="2oi4, resolution 2.20&Aring;" />
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'''Crystal structure of human PIM1 in complex with fluorinated ruthenium pyridocarbazole'''<br />
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{{Structure
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|PDB= 2oi4 |SIZE=350|CAPTION= <scene name='initialview01'>2oi4</scene>, resolution 2.20&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=JM1:FLOURINATED+PYRIDOCARBAZOLE+CYCLOPENTADIENYL+RU(CO)+COMPLEX'>JM1</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene> and <scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'>EPE</scene>
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|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]
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|GENE= PIM1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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}}
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'''Crystal structure of human PIM1 in complex with fluorinated ruthenium pyridocarbazole'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2OI4 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=CL:'>CL</scene>, <scene name='pdbligand=JM1:'>JM1</scene>, <scene name='pdbligand=EDO:'>EDO</scene> and <scene name='pdbligand=EPE:'>EPE</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OI4 OCA].
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2OI4 is a [[Single protein]] structure of 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=2OI4 OCA].
==Reference==
==Reference==
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Ruthenium half-sandwich complexes as protein kinase inhibitors: derivatization of the pyridocarbazole pharmacophore ligand., Pagano N, Maksimoska J, Bregman H, Williams DS, Webster RD, Xue F, Meggers E, Org Biomol Chem. 2007 Apr 21;5(8):1218-27. Epub 2007 Mar 20. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17406720 17406720]
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Ruthenium half-sandwich complexes as protein kinase inhibitors: derivatization of the pyridocarbazole pharmacophore ligand., Pagano N, Maksimoska J, Bregman H, Williams DS, Webster RD, Xue F, Meggers E, Org Biomol Chem. 2007 Apr 21;5(8):1218-27. Epub 2007 Mar 20. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17406720 17406720]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Non-specific serine/threonine protein kinase]]
[[Category: Non-specific serine/threonine protein kinase]]
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[[Category: transferase]]
[[Category: transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:18:59 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:00:04 2008''

Revision as of 16:00, 20 March 2008

Image:2oi4.gif


PDB ID 2oi4

Drag the structure with the mouse to rotate
, resolution 2.20Å
Ligands: , , and
Gene: PIM1 (Homo sapiens)
Activity: Non-specific serine/threonine protein kinase, with EC number 2.7.11.1
Coordinates: save as pdb, mmCIF, xml



Crystal structure of human PIM1 in complex with fluorinated ruthenium pyridocarbazole


Overview

A general route to ruthenium pyridocarbazole half-sandwich complexes is presented and applied to the synthesis of sixteen new compounds, many of which have modulated protein kinase inhibition properties. For example, the incorporation of a fluorine into the pyridine moiety increases the binding affinity for glycogen synthase kinase 3 by almost one order of magnitude. These data are supplemented with cyclic voltammetry experiments and a protein co-crystallographic study.

About this Structure

2OI4 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Ruthenium half-sandwich complexes as protein kinase inhibitors: derivatization of the pyridocarbazole pharmacophore ligand., Pagano N, Maksimoska J, Bregman H, Williams DS, Webster RD, Xue F, Meggers E, Org Biomol Chem. 2007 Apr 21;5(8):1218-27. Epub 2007 Mar 20. PMID:17406720

Page seeded by OCA on Thu Mar 20 18:00:04 2008

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