2ghl
From Proteopedia
(New page: 200px<br /><applet load="2ghl" size="450" color="white" frame="true" align="right" spinBox="true" caption="2ghl, resolution 2.099Å" /> '''Mutant Mus Musculus...) |
|||
| Line 1: | Line 1: | ||
| - | [[Image:2ghl.gif|left|200px]]<br /><applet load="2ghl" size=" | + | [[Image:2ghl.gif|left|200px]]<br /><applet load="2ghl" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="2ghl, resolution 2.099Å" /> | caption="2ghl, resolution 2.099Å" /> | ||
'''Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743'''<br /> | '''Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743'''<br /> | ||
==Overview== | ==Overview== | ||
| - | A new class of tumor necrosis factor alpha (TNF-alpha) synthesis | + | A new class of tumor necrosis factor alpha (TNF-alpha) synthesis inhibitors based on an N-2,4-pyrimidine-N-phenyl-N'-phenyl urea scaffold is described. Many of these compounds showed low-nanomolar activity against lipopolysaccharide stimulated TNF-alpha production. X-ray co-crystallization studies with mutated p38alpha showed that these trisubstituted ureas interact with the ATP-binding pocket in a pseudo-bicyclic conformation brought about by the presence of an intramolecular hydrogen bonding interaction. |
==About this Structure== | ==About this Structure== | ||
| - | 2GHL 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 LIB 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:// | + | 2GHL 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=LIB:'>LIB</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=2GHL 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: Brugel, T | + | [[Category: Brugel, T A.]] |
| - | [[Category: Evdokimov, A | + | [[Category: Evdokimov, A G.]] |
| - | [[Category: Mekel, M | + | [[Category: Mekel, M J.]] |
| - | [[Category: Pokross, M | + | [[Category: Pokross, M E.]] |
| - | [[Category: Walter, R | + | [[Category: Walter, R L.]] |
[[Category: LIB]] | [[Category: LIB]] | ||
[[Category: map kinase p38]] | [[Category: map kinase p38]] | ||
[[Category: p38]] | [[Category: p38]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:31:50 2008'' |
Revision as of 15:31, 21 February 2008
|
Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743
Overview
A new class of tumor necrosis factor alpha (TNF-alpha) synthesis inhibitors based on an N-2,4-pyrimidine-N-phenyl-N'-phenyl urea scaffold is described. Many of these compounds showed low-nanomolar activity against lipopolysaccharide stimulated TNF-alpha production. X-ray co-crystallization studies with mutated p38alpha showed that these trisubstituted ureas interact with the ATP-binding pocket in a pseudo-bicyclic conformation brought about by the presence of an intramolecular hydrogen bonding interaction.
About this Structure
2GHL 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
Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1., Brugel TA, Maier JA, Clark MP, Sabat M, Golebiowski A, Bookland RG, Laufersweiler MJ, Laughlin SK, Vanrens JC, De B, Hsieh LC, Mekel MJ, Janusz MJ, Bioorg Med Chem Lett. 2006 Jul 1;16(13):3510-3. Epub 2006 May 2. PMID:16632356
Page seeded by OCA on Thu Feb 21 17:31:50 2008
