2e9o
From Proteopedia
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| - | [[Image:2e9o.jpg|left|200px]] | + | [[Image:2e9o.jpg|left|200px]] |
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| - | '''Structure of h-CHK1 complexed with AA582939''' | + | {{Structure |
| + | |PDB= 2e9o |SIZE=350|CAPTION= <scene name='initialview01'>2e9o</scene>, resolution 2.10Å | ||
| + | |SITE= <scene name='pdbsite=AC1:A58+Binding+Site+For+Residue+A+1001'>AC1</scene> | ||
| + | |LIGAND= <scene name='pdbligand=A58:'>A58</scene> | ||
| + | |ACTIVITY= [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] | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''Structure of h-CHK1 complexed with AA582939''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2E9O is a [ | + | 2E9O 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=2E9O OCA]. |
==Reference== | ==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:[http:// | + | 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:[http://www.ncbi.nlm.nih.gov/pubmed/17287122 17287122] |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Non-specific serine/threonine protein kinase]] | [[Category: Non-specific serine/threonine protein kinase]] | ||
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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 16:37:14 2008'' |
Revision as of 14:37, 20 March 2008
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| , resolution 2.10Å | |||||||
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| Sites: | |||||||
| Ligands: | |||||||
| Activity: | Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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 Thu Mar 20 16:37:14 2008
