2ds1: Difference between revisions

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Revision as of 17:30, 20 March 2008

File:2ds1.jpg

, resolution 2.0Å

Ligands:

Activity:

Cyclin-dependent kinase, with EC number 2.7.11.22

Coordinates:

save as pdb, mmCIF, xml

Human cyclin dependent kinase 2 complexed with the CDK4 inhibitor

OverviewOverview

The design of a novel series of cyclin-dependent kinase (CDK) inhibitors containing a macrocyclic quinoxaline-2-one is reported. Structure-based drug design and optimization from the starting point of diarylurea 2, which we previously reported as a moderate CDK1,2,4,6 inhibitor [J. Biol.Chem.2001, 276, 27548], led to the discovery of potent CDK1,2,4,6 inhibitor that were suitable for iv administration for in vivo study.

About this StructureAbout this Structure

2DS1 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

Structure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure., Kawanishi N, Sugimoto T, Shibata J, Nakamura K, Masutani K, Ikuta M, Hirai H, Bioorg Med Chem Lett. 2006 Oct 1;16(19):5122-6. Epub 2006 Jul 28. PMID:16876403

Page seeded by OCA on Thu Mar 20 16:30:50 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
-[[Image:2ds1.jpg|left|200px]]<br /><applet load="2ds1" size="350" color="white" frame="true" align="right" spinBox="true"
+[[Image:2ds1.jpg|left|200px]]
-caption="2ds1, resolution 2.0&Aring;" />
-'''Human cyclin dependent kinase 2 complexed with the CDK4 inhibitor'''<br />
+ {{Structure
+|PDB= 2ds1 |SIZE=350|CAPTION= <scene name='initialview01'>2ds1</scene>, resolution 2.0&Aring;
+|SITE=
+|LIGAND= <scene name='pdbligand=1CD:(13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE'>1CD</scene>
+|ACTIVITY= [http://en.wikipedia.org/wiki/Cyclin-dependent_kinase Cyclin-dependent kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.22 2.7.11.22]
+|GENE=
+}}
+'''Human cyclin dependent kinase 2 complexed with the CDK4 inhibitor'''
 ==Overview==
@@ Line 7: / Line 16: @@
 ==About this Structure==
-DS1 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=1CD:'>1CD</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Cyclin-dependent_kinase Cyclin-dependent kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.22 2.7.11.22] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2DS1 OCA].
+DS1 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=2DS1 OCA].
 ==Reference==
-Structure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure., Kawanishi N, Sugimoto T, Shibata J, Nakamura K, Masutani K, Ikuta M, Hirai H, Bioorg Med Chem Lett. 2006 Oct 1;16(19):5122-6. Epub 2006 Jul 28. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16876403 16876403]
+Structure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure., Kawanishi N, Sugimoto T, Shibata J, Nakamura K, Masutani K, Ikuta M, Hirai H, Bioorg Med Chem Lett. 2006 Oct 1;16(19):5122-6. Epub 2006 Jul 28. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16876403 16876403]
 [[Category: Cyclin-dependent kinase]]
 [[Category: Homo sapiens]]
@@ Line 20: / Line 29: @@
 [[Category: protein kinase]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:02:04 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:30:50 2008''