1pw2

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[[Image:1pw2.gif|left|200px]]
[[Image:1pw2.gif|left|200px]]
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{{Structure
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|PDB= 1pw2 |SIZE=350|CAPTION= <scene name='initialview01'>1pw2</scene>, resolution 1.95&Aring;
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The line below this paragraph, containing "STRUCTURE_1pw2", creates the "Structure Box" on the page.
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|SITE=
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|GENE= CDK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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|DOMAIN=
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{{STRUCTURE_1pw2| PDB=1pw2 | SCENE= }}
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|RELATEDENTRY=[[1aq1|1AQ1]], [[1b39|1B39]], [[1ckp|1CKP]], [[1di8|1DI8]], [[1dm2|1DM2]], [[1e1v|1E1V]], [[1e1x|1E1X]], [[1e9h|1E9H]], [[1fin|1FIN]], [[1fvt|1FVT]], [[1fvv|1FVV]], [[1g5s|1G5S]], [[1gih|1GIH]], [[1gz8|1GZ8]], [[1hck|1HCK]], [[1hcl|1HCL]], [[1jsv|1JSV]], [[1jvp|1JVP]], [[1ke5|1KE5]], [[1ke6|1KE6]], [[1ke7|1KE7]], [[1ke8|1KE8]], [[1ke9|1KE9]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1pw2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1pw2 OCA], [http://www.ebi.ac.uk/pdbsum/1pw2 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1pw2 RCSB]</span>
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'''APO STRUCTURE OF HUMAN CYCLIN-DEPENDENT KINASE 2'''
'''APO STRUCTURE OF HUMAN CYCLIN-DEPENDENT KINASE 2'''
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[[Category: Zheleva, D I.]]
[[Category: Zheleva, D I.]]
[[Category: 3d-structure.]]
[[Category: 3d-structure.]]
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[[Category: atp-binding]]
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[[Category: Atp-binding]]
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[[Category: cell cycle]]
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[[Category: Cell cycle]]
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[[Category: cell division]]
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[[Category: Cell division]]
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[[Category: inhibition]]
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[[Category: Inhibition]]
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[[Category: mitosis]]
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[[Category: Mitosis]]
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[[Category: phosphorylation]]
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[[Category: Phosphorylation]]
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[[Category: protein kinase]]
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[[Category: Protein kinase]]
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[[Category: serine/threonine-protein kinase]]
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[[Category: Serine/threonine-protein kinase]]
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[[Category: transferase]]
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[[Category: Transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 05:33:08 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:05:19 2008''
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Revision as of 02:33, 3 May 2008

Image:1pw2.gif

Template:STRUCTURE 1pw2

APO STRUCTURE OF HUMAN CYCLIN-DEPENDENT KINASE 2


Overview

A family of 4-heteroaryl-2-amino-pyrimidine CDK2 inhibitor lead compounds was discovered with the new database-mining program LIDAEUS through in silico screening. Four compounds with IC(50) values ranging from 17 to 0.9 microM were selected for X-ray crystal analysis. Two distinct binding modes are observed, one of which resembles the hydrogen bonding pattern of bound ATP. In the second binding mode, the ligands trigger a conformational change in the activation T loop by inducing movement of Lys(33) and Asp(145) side chains. The family of molecules discovered provides an excellent starting point for the design and synthesis of tight binding inhibitors, which may lead to a new class of antiproliferative drugs.

About this Structure

1PW2 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop., Wu SY, McNae I, Kontopidis G, McClue SJ, McInnes C, Stewart KJ, Wang S, Zheleva DI, Marriage H, Lane DP, Taylor P, Fischer PM, Walkinshaw MD, Structure. 2003 Apr;11(4):399-410. PMID:12679018 Page seeded by OCA on Sat May 3 05:33:08 2008

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OCA

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