2r0u
From Proteopedia
(New page: 200px<br /> <applet load="2r0u" size="450" color="white" frame="true" align="right" spinBox="true" caption="2r0u, resolution 1.90Å" /> '''Crystal Structure o...) |
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| - | [[Image:2r0u.gif|left|200px]]<br /> | + | [[Image:2r0u.gif|left|200px]]<br /><applet load="2r0u" size="350" color="white" frame="true" align="right" spinBox="true" |
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caption="2r0u, resolution 1.90Å" /> | caption="2r0u, resolution 1.90Å" /> | ||
'''Crystal Structure of Chek1 in Complex with Inhibitor 54'''<br /> | '''Crystal Structure of Chek1 in Complex with Inhibitor 54'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2R0U is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with M54 as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http:// | + | 2R0U is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=M54:'>M54</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2R0U OCA]. |
==Reference== | ==Reference== | ||
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[[Category: ubl conjugation]] | [[Category: ubl conjugation]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 23 12:38:01 2008'' |
Revision as of 10:38, 23 January 2008
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Crystal Structure of Chek1 in Complex with Inhibitor 54
Overview
From HTS lead 1, a novel benzoisoquinolinone class of ATP-competitive Chk1, inhibitors was devised and synthesized via a photochemical route. Using, X-ray crystallography as a guide, potency was rapidly enhanced through the, installation of a tethered basic amine designed to interact with an acidic, residue (Glu91) in the enzyme pocket. Further SAR was explored at the, solvent front and near to the H1 pocket and resulted in the discovery of, low MW, sub-nanomolar inhibitors of Chk1.
About this Structure
2R0U is a Single protein structure of sequence from Homo sapiens with as ligand. Active as Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 Full crystallographic information is available from OCA.
Reference
Synthesis and evaluation of substituted benzoisoquinolinones as potent inhibitors of Chk1 kinase., Garbaccio RM, Huang S, Tasber ES, Fraley ME, Yan Y, Munshi S, Ikuta M, Kuo L, Kreatsoulas C, Stirdivant S, Drakas B, Rickert K, Walsh ES, Hamilton KA, Buser CA, Hardwick J, Mao X, Beck SC, Abrams MT, Tao W, Lobell R, Sepp-Lorenzino L, Hartman GD, Bioorg Med Chem Lett. 2007 Nov 15;17(22):6280-5. Epub 2007 Sep 7. PMID:17900896
Page seeded by OCA on Wed Jan 23 12:38:01 2008
Categories: Homo sapiens | Non-specific serine/threonine protein kinase | Single protein | Ikuta, M. | Yan, Y. | M54 | Atp-binding | Cell cycle check point | Chek1 | Cytoplasm | Dna damage | Dna repair | Kinase | Nucleotide-binding | Nucleus | Phosphorylation | Polymorphism | Serine/threonine-protein kinase | Transferase | Ubl conjugation
