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2b1p
From Proteopedia
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|PDB= 2b1p |SIZE=350|CAPTION= <scene name='initialview01'>2b1p</scene>, resolution 1.900Å | |PDB= 2b1p |SIZE=350|CAPTION= <scene name='initialview01'>2b1p</scene>, resolution 1.900Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=AIZ:3-{6-[(2-CHLOROPHENYL)AMINO]-1H-INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC+ACID'>AIZ</scene>, <scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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] | + | |ACTIVITY= <span class='plainlinks'>[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] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2b1p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2b1p OCA], [http://www.ebi.ac.uk/pdbsum/2b1p PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2b1p RCSB]</span> | ||
}} | }} | ||
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==Overview== | ==Overview== | ||
The structure-based design and synthesis of a new series of c-Jun N-terminal kinase-3 inhibitors with selectivity against JNK1 and p38alpha is reported. The novel series of substituted 6-anilinoindazoles were designed based on a combination of hits from high throughput screening and X-ray crystal structure information of the compounds crystallized into the JNK3 ATP binding active site. | The structure-based design and synthesis of a new series of c-Jun N-terminal kinase-3 inhibitors with selectivity against JNK1 and p38alpha is reported. The novel series of substituted 6-anilinoindazoles were designed based on a combination of hits from high throughput screening and X-ray crystal structure information of the compounds crystallized into the JNK3 ATP binding active site. | ||
| - | |||
| - | ==Disease== | ||
| - | Known diseases associated with this structure: Epileptic encephalopathy, Lennox-Gastaut type OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=602897 602897]] | ||
==About this Structure== | ==About this Structure== | ||
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[[Category: Womack, P.]] | [[Category: Womack, P.]] | ||
[[Category: Xue, Y.]] | [[Category: Xue, Y.]] | ||
| - | [[Category: AIZ]] | ||
| - | [[Category: BME]] | ||
| - | [[Category: SO4]] | ||
[[Category: enzyme-inhibitor complex]] | [[Category: enzyme-inhibitor complex]] | ||
[[Category: kinase inhibitor]] | [[Category: kinase inhibitor]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:00:23 2008'' |
Revision as of 23:00, 30 March 2008
| |||||||
| , resolution 1.900Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , | ||||||
| Activity: | Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
inhibitor complex of JNK3
Overview
The structure-based design and synthesis of a new series of c-Jun N-terminal kinase-3 inhibitors with selectivity against JNK1 and p38alpha is reported. The novel series of substituted 6-anilinoindazoles were designed based on a combination of hits from high throughput screening and X-ray crystal structure information of the compounds crystallized into the JNK3 ATP binding active site.
About this Structure
2B1P is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Design and synthesis of 6-anilinoindazoles as selective inhibitors of c-Jun N-terminal kinase-3., Swahn BM, Huerta F, Kallin E, Malmstrom J, Weigelt T, Viklund J, Womack P, Xue Y, Ohberg L, Bioorg Med Chem Lett. 2005 Nov 15;15(22):5095-9. PMID:16140012
Page seeded by OCA on Mon Mar 31 02:00:23 2008
