1r78

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Line 1: Line 1:
-
[[Image:1r78.jpg|left|200px]]<br /><applet load="1r78" size="350" color="white" frame="true" align="right" spinBox="true"
+
[[Image:1r78.jpg|left|200px]]
-
caption="1r78, resolution 2.00&Aring;" />
+
 
-
'''CDK2 complex with a 4-alkynyl oxindole inhibitor'''<br />
+
{{Structure
 +
|PDB= 1r78 |SIZE=350|CAPTION= <scene name='initialview01'>1r78</scene>, resolution 2.00&Aring;
 +
|SITE=
 +
|LIGAND= <scene name='pdbligand=FMD:4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE'>FMD</scene>
 +
|ACTIVITY=
 +
|GENE= CDK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
 +
}}
 +
 
 +
'''CDK2 complex with a 4-alkynyl oxindole inhibitor'''
 +
 
==Overview==
==Overview==
Line 7: Line 16:
==About this Structure==
==About this Structure==
-
1R78 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=FMD:'>FMD</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1R78 OCA].
+
1R78 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=1R78 OCA].
==Reference==
==Reference==
-
A new series of potent oxindole inhibitors of CDK2., Luk KC, Simcox ME, Schutt A, Rowan K, Thompson T, Chen Y, Kammlott U, DePinto W, Dunten P, Dermatakis A, Bioorg Med Chem Lett. 2004 Feb 23;14(4):913-7. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15012993 15012993]
+
A new series of potent oxindole inhibitors of CDK2., Luk KC, Simcox ME, Schutt A, Rowan K, Thompson T, Chen Y, Kammlott U, DePinto W, Dunten P, Dermatakis A, Bioorg Med Chem Lett. 2004 Feb 23;14(4):913-7. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15012993 15012993]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Single protein]]
Line 28: Line 37:
[[Category: serine/threonine protein kinase]]
[[Category: serine/threonine protein kinase]]
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:47:52 2008''
+
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:47:49 2008''

Revision as of 11:47, 20 March 2008

Image:1r78.jpg


PDB ID 1r78

Drag the structure with the mouse to rotate
, resolution 2.00Å
Ligands:
Gene: CDK2 (Homo sapiens)
Coordinates: save as pdb, mmCIF, xml



CDK2 complex with a 4-alkynyl oxindole inhibitor


Overview

A novel series of oxindole-type inhibitors of CDK2 that have heteroatom substituted alkynyl moieties at their C-4 position is described. These novel 4-alkynyl-substituted inhibitors have superior potency relative to their parent compound in free enzyme and in cell based assays. The crystal structure of CDK2 in complex with one of these analogues was determined and gives insight to their increased potency. The biochemical evaluation of a representative derivative is also described.

About this Structure

1R78 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

A new series of potent oxindole inhibitors of CDK2., Luk KC, Simcox ME, Schutt A, Rowan K, Thompson T, Chen Y, Kammlott U, DePinto W, Dunten P, Dermatakis A, Bioorg Med Chem Lett. 2004 Feb 23;14(4):913-7. PMID:15012993

Page seeded by OCA on Thu Mar 20 13:47:49 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/1r78"
Personal tools