2b1p

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|PDB= 2b1p |SIZE=350|CAPTION= <scene name='initialview01'>2b1p</scene>, resolution 1.900&Aring;
|PDB= 2b1p |SIZE=350|CAPTION= <scene name='initialview01'>2b1p</scene>, resolution 1.900&Aring;
|SITE=
|SITE=
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|LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=AIZ:3-{6-[(2-CHLOROPHENYL)AMINO]-1H-INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC+ACID'>AIZ</scene> and <scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>
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|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>
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|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]
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|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=
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|DOMAIN=
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|RELATEDENTRY=
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|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.
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==Disease==
 
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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.]]
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[[Category: AIZ]]
 
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[[Category: BME]]
 
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[[Category: SO4]]
 
[[Category: enzyme-inhibitor complex]]
[[Category: enzyme-inhibitor complex]]
[[Category: kinase inhibitor]]
[[Category: kinase inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:56:29 2008''
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''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


PDB ID 2b1p

Drag the structure with the mouse to rotate
, 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

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