1vjy: Difference between revisions

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[[Image:1vjy.gif|left|200px]]<br /><applet load="1vjy" size="350" color="white" frame="true" align="right" spinBox="true"
[[Image:1vjy.gif|left|200px]]
caption="1vjy, resolution 2.0&Aring;" />
 
'''Crystal Structure of a Naphthyridine Inhibitor of Human TGF-beta Type I Receptor'''<br />
{{Structure
|PDB= 1vjy |SIZE=350|CAPTION= <scene name='initialview01'>1vjy</scene>, resolution 2.0&Aring;
|SITE=
|LIGAND= <scene name='pdbligand=460:2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE'>460</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=
}}
 
'''Crystal Structure of a Naphthyridine Inhibitor of Human TGF-beta Type I Receptor'''
 


==Overview==
==Overview==
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==Disease==
==Disease==
Known diseases associated with this structure: Aortic aneurysm, familial thoracic 5 OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=190181 190181]], Furlong syndrome OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=190181 190181]], Loeys-Dietz syndrome OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=190181 190181]]
Known diseases associated with this structure: Loeys-Dietz syndrome, type 1A OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=190181 190181]], Loeys-Dietz syndrome, type 2A OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=190181 190181]]


==About this Structure==
==About this Structure==
1VJY 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=460:'>460</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=1VJY OCA].  
1VJY 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=1VJY OCA].  


==Reference==
==Reference==
Identification of 1,5-naphthyridine derivatives as a novel series of potent and selective TGF-beta type I receptor inhibitors., Gellibert F, Woolven J, Fouchet MH, Mathews N, Goodland H, Lovegrove V, Laroze A, Nguyen VL, Sautet S, Wang R, Janson C, Smith W, Krysa G, Boullay V, De Gouville AC, Huet S, Hartley D, J Med Chem. 2004 Aug 26;47(18):4494-506. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15317461 15317461]
Identification of 1,5-naphthyridine derivatives as a novel series of potent and selective TGF-beta type I receptor inhibitors., Gellibert F, Woolven J, Fouchet MH, Mathews N, Goodland H, Lovegrove V, Laroze A, Nguyen VL, Sautet S, Wang R, Janson C, Smith W, Krysa G, Boullay V, De Gouville AC, Huet S, Hartley D, J Med Chem. 2004 Aug 26;47(18):4494-506. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15317461 15317461]
[[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 Feb 21 15:36:07 2008''
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:46:37 2008''

Revision as of 15:46, 20 March 2008

File:1vjy.gif


PDB ID 1vjy

Drag the structure with the mouse to rotate
, resolution 2.0Å
Ligands:
Activity: Non-specific serine/threonine protein kinase, with EC number 2.7.11.1
Coordinates: save as pdb, mmCIF, xml



Crystal Structure of a Naphthyridine Inhibitor of Human TGF-beta Type I Receptor


OverviewOverview

Optimization of the screening hit 1 led to the identification of novel 1,5-naphthyridine aminothiazole and pyrazole derivatives, which are potent and selective inhibitors of the transforming growth factor-beta type I receptor, ALK5. Compounds 15 and 19, which inhibited ALK5 autophosphorylation with IC50 = 6 and 4 nM, respectively, showed potent activities in both binding and cellular assays and exhibited selectivity over p38 mitogen-activated protein kinase. The X-ray crystal structure of 19 in complex with human ALK5 is described, confirming the binding mode proposed from docking studies.

DiseaseDisease

Known diseases associated with this structure: Loeys-Dietz syndrome, type 1A OMIM:[190181], Loeys-Dietz syndrome, type 2A OMIM:[190181]

About this StructureAbout this Structure

1VJY is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

Identification of 1,5-naphthyridine derivatives as a novel series of potent and selective TGF-beta type I receptor inhibitors., Gellibert F, Woolven J, Fouchet MH, Mathews N, Goodland H, Lovegrove V, Laroze A, Nguyen VL, Sautet S, Wang R, Janson C, Smith W, Krysa G, Boullay V, De Gouville AC, Huet S, Hartley D, J Med Chem. 2004 Aug 26;47(18):4494-506. PMID:15317461

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