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1jvp

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[[Image:1jvp.gif|left|200px]]
[[Image:1jvp.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1jvp |SIZE=350|CAPTION= <scene name='initialview01'>1jvp</scene>, resolution 1.53&Aring;
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The line below this paragraph, containing "STRUCTURE_1jvp", creates the "Structure Box" on the page.
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|SITE=
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|LIGAND= <scene name='pdbligand=LIG:3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE'>LIG</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[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] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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|DOMAIN=
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{{STRUCTURE_1jvp| PDB=1jvp | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1jvp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jvp OCA], [http://www.ebi.ac.uk/pdbsum/1jvp PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1jvp RCSB]</span>
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}}
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'''Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365'''
'''Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365'''
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[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Rondeau, J M.]]
[[Category: Rondeau, J M.]]
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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: drug design]]
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[[Category: Drug design]]
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[[Category: enzyme inhibitor]]
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[[Category: Enzyme inhibitor]]
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[[Category: protein kinase]]
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[[Category: Protein kinase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 21:59:03 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:39:40 2008''
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Revision as of 18:59, 2 May 2008

Image:1jvp.gif

Template:STRUCTURE 1jvp

Crystal structure of human CDK2 (unphosphorylated) in complex with PKF049-365


Overview

A 5-aryl-1H-pyrazole molecular scaffold was designed to ligate the ATP binding site of cyclin dependent kinase 2 (CDK2) on the basis of crystallographic information. A search of the compound collection of Novartis using this scaffold as substructure query led to the identification of PKF049-365 as a representative of a new class of inhibitors of the cell cycle kinases CDK1/2. The three-dimensional structure of CDK2 in complex with PKF049-365 was subsequently determined by protein crystallography and refined to 1.53 A resolution. The X-ray analysis confirmed the binding mode expected from the design hypothesis. In addition, it revealed an alternative binding orientation involving a second tautomeric form of the inhibitor that was not envisaged during the design stage.

About this Structure

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

Reference

Structure-based design and protein X-ray analysis of a protein kinase inhibitor., Furet P, Meyer T, Strauss A, Raccuglia S, Rondeau JM, Bioorg Med Chem Lett. 2002 Jan 21;12(2):221-4. PMID:11755359 Page seeded by OCA on Fri May 2 21:59:03 2008

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