1ywr
From Proteopedia
(New page: 200px<br /><applet load="1ywr" size="450" color="white" frame="true" align="right" spinBox="true" caption="1ywr, resolution 1.95Å" /> '''Crystal Structure An...) |
|||
| Line 1: | Line 1: | ||
| - | [[Image:1ywr.gif|left|200px]]<br /><applet load="1ywr" size=" | + | [[Image:1ywr.gif|left|200px]]<br /><applet load="1ywr" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="1ywr, resolution 1.95Å" /> | caption="1ywr, resolution 1.95Å" /> | ||
'''Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor'''<br /> | '''Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor'''<br /> | ||
==Overview== | ==Overview== | ||
| - | 4-Aryl-5-pyrimidyl based cytokine synthesis inhibitors that contain a | + | 4-Aryl-5-pyrimidyl based cytokine synthesis inhibitors that contain a novel monocyclic, pyrazolone heterocyclic core are described. Many of these inhibitors showed low nanomolar activity against LPS-induced TNF-alpha production. One of the compounds (6e) was found to be efficacious in the rat iodoacetate (RIA) in vivo model of osteoarthritis. The X-ray crystal structure of a pyrazolone inhibitor cocrystallized with mutated p38 (mp38) is presented. |
==About this Structure== | ==About this Structure== | ||
| - | 1YWR is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus] with LI9 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:// | + | 1YWR is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus] with <scene name='pdbligand=LI9:'>LI9</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=1YWR OCA]. |
==Reference== | ==Reference== | ||
| Line 14: | Line 14: | ||
[[Category: Non-specific serine/threonine protein kinase]] | [[Category: Non-specific serine/threonine protein kinase]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
| - | [[Category: Bookland, R | + | [[Category: Bookland, R G.]] |
| - | [[Category: Brugel, T | + | [[Category: Brugel, T A.]] |
| - | [[Category: Clark, C | + | [[Category: Clark, C M.]] |
| - | [[Category: Clark, M | + | [[Category: Clark, M P.]] |
[[Category: De, B.]] | [[Category: De, B.]] | ||
| - | [[Category: Djung, J | + | [[Category: Djung, J F.]] |
[[Category: Golebiowski, A.]] | [[Category: Golebiowski, A.]] | ||
| - | [[Category: Hsieh, L | + | [[Category: Hsieh, L C.]] |
| - | [[Category: Janusz, M | + | [[Category: Janusz, M J.]] |
| - | [[Category: Laufersweiler, M | + | [[Category: Laufersweiler, M J.]] |
| - | [[Category: Laughlin, S | + | [[Category: Laughlin, S K.]] |
| - | [[Category: Mekel, M | + | [[Category: Mekel, M J.]] |
| - | [[Category: Sabat, M | + | [[Category: Sabat, M P.]] |
| - | [[Category: Townes, J | + | [[Category: Townes, J A.]] |
| - | [[Category: Vanrens, J | + | [[Category: Vanrens, J C.]] |
| - | [[Category: Walter, R | + | [[Category: Walter, R L.]] |
| - | [[Category: Webster, M | + | [[Category: Webster, M E.]] |
[[Category: LI9]] | [[Category: LI9]] | ||
[[Category: moncyclic pyrazolone]] | [[Category: moncyclic pyrazolone]] | ||
[[Category: p38 kinase]] | [[Category: p38 kinase]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:09:52 2008'' |
Revision as of 14:09, 21 February 2008
|
Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor
Overview
4-Aryl-5-pyrimidyl based cytokine synthesis inhibitors that contain a novel monocyclic, pyrazolone heterocyclic core are described. Many of these inhibitors showed low nanomolar activity against LPS-induced TNF-alpha production. One of the compounds (6e) was found to be efficacious in the rat iodoacetate (RIA) in vivo model of osteoarthritis. The X-ray crystal structure of a pyrazolone inhibitor cocrystallized with mutated p38 (mp38) is presented.
About this Structure
1YWR is a Single protein structure of sequence from Mus musculus 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
The development of monocyclic pyrazolone based cytokine synthesis inhibitors., Golebiowski A, Townes JA, Laufersweiler MJ, Brugel TA, Clark MP, Clark CM, Djung JF, Laughlin SK, Sabat MP, Bookland RG, VanRens JC, De B, Hsieh LC, Janusz MJ, Walter RL, Webster ME, Mekel MJ, Bioorg Med Chem Lett. 2005 May 2;15(9):2285-9. PMID:15837310
Page seeded by OCA on Thu Feb 21 16:09:52 2008
Categories: Mus musculus | Non-specific serine/threonine protein kinase | Single protein | Bookland, R G. | Brugel, T A. | Clark, C M. | Clark, M P. | De, B. | Djung, J F. | Golebiowski, A. | Hsieh, L C. | Janusz, M J. | Laufersweiler, M J. | Laughlin, S K. | Mekel, M J. | Sabat, M P. | Townes, J A. | Vanrens, J C. | Walter, R L. | Webster, M E. | LI9 | Moncyclic pyrazolone | P38 kinase
