1pw2
From Proteopedia
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| - | [[Image:1pw2.gif|left|200px]] | + | [[Image:1pw2.gif|left|200px]] |
| - | + | ||
| - | '''APO STRUCTURE OF HUMAN CYCLIN-DEPENDENT KINASE 2''' | + | {{Structure |
| + | |PDB= 1pw2 |SIZE=350|CAPTION= <scene name='initialview01'>1pw2</scene>, resolution 1.95Å | ||
| + | |SITE= | ||
| + | |LIGAND= | ||
| + | |ACTIVITY= | ||
| + | |GENE= CDK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
| + | }} | ||
| + | |||
| + | '''APO STRUCTURE OF HUMAN CYCLIN-DEPENDENT KINASE 2''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1PW2 is a [ | + | 1PW2 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=1PW2 OCA]. |
==Reference== | ==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:[http:// | + | 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:[http://www.ncbi.nlm.nih.gov/pubmed/12679018 12679018] |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: transferase]] | [[Category: transferase]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:29:42 2008'' |
Revision as of 11:29, 20 March 2008
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| , resolution 1.95Å | |||||||
|---|---|---|---|---|---|---|---|
| Gene: | CDK2 (Homo sapiens) | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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 Thu Mar 20 13:29:42 2008
Categories: Homo sapiens | Single protein | Fischer, P M. | Kontopidis, G. | Lane, D P. | Marriage, H. | McClue, S J. | McInnes, C. | McNae, I. | Stewart, K J. | Taylor, P. | Walkinshaw, M D. | Wang, S. | Wu, S Y. | Zheleva, D I. | 3d-structure. | Atp-binding | Cell cycle | Cell division | Inhibition | Mitosis | Phosphorylation | Protein kinase | Serine/threonine-protein kinase | Transferase
