2e9o

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[[Image:2e9o.jpg|left|200px]]
[[Image:2e9o.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2e9o |SIZE=350|CAPTION= <scene name='initialview01'>2e9o</scene>, resolution 2.10&Aring;
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The line below this paragraph, containing "STRUCTURE_2e9o", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:A58+Binding+Site+For+Residue+A+1001'>AC1</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=A58:4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC+ACID'>A58</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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-->
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|DOMAIN=
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{{STRUCTURE_2e9o| PDB=2e9o | SCENE= }}
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|RELATEDENTRY=[[2ayp|2AYP]], [[2fga|2FGA]], [[2ghg|2GHG]], [[2e9n|2E9N]], [[2e9p|2E9P]], [[2e9u|2E9U]], [[2e9v|2E9V]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2e9o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2e9o OCA], [http://www.ebi.ac.uk/pdbsum/2e9o PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2e9o RCSB]</span>
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}}
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'''Structure of h-CHK1 complexed with AA582939'''
'''Structure of h-CHK1 complexed with AA582939'''
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[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Park, C.]]
[[Category: Park, C.]]
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[[Category: protein-inhibitor complex]]
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[[Category: Protein-inhibitor complex]]
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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 Sun May 4 02:12:02 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:45:52 2008''
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Revision as of 23:12, 3 May 2008

Image:2e9o.jpg

Template:STRUCTURE 2e9o

Structure of h-CHK1 complexed with AA582939


Overview

A new class of checkpoint kinase 1 (CHK-1) inhibitors bearing a 1,4-dihydroindeno[1,2-c]pyrazole core was developed after initial hits from high throughput screening. The efficient hit-to-lead process was facilitated by X-ray crystallography and led to potent inhibitors (<10nM) against CHK-1. X-ray co-crystal structures of bound inhibitors demonstrated that two sub-series of this class of compounds, exemplified by 21 and 41, exhibit distinctive hydrogen bonding patterns in the specificity pocket of the active site. Two compounds, 41 and 43, were capable of potentiating doxorubicin and camptothecin, both DNA-damaging agents, in cell proliferation assays (MTS and soft agar assays) and abrogating G2/M checkpoint in a mechanism-based FACS assay.

About this Structure

2E9O is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors., Tong Y, Claiborne A, Stewart KD, Park C, Kovar P, Chen Z, Credo RB, Gu WZ, Gwaltney SL 2nd, Judge RA, Zhang H, Rosenberg SH, Sham HL, Sowin TJ, Lin NH, Bioorg Med Chem. 2007 Apr 1;15(7):2759-67. Epub 2007 Jan 17. PMID:17287122 Page seeded by OCA on Sun May 4 02:12:02 2008

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OCA

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