2b1p

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==Overview==
==Overview==
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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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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==
==Disease==
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[[Category: Malmstrom, J.]]
[[Category: Malmstrom, J.]]
[[Category: Ohberg, L.]]
[[Category: Ohberg, L.]]
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[[Category: Swahn, B.M.]]
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[[Category: Swahn, B M.]]
[[Category: Viklund, J.]]
[[Category: Viklund, J.]]
[[Category: Weigelt, T.]]
[[Category: Weigelt, T.]]
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[[Category: kinase inhibitor]]
[[Category: kinase inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 17:15:22 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:33:17 2008''

Revision as of 14:33, 21 February 2008


2b1p, resolution 1.900Å

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inhibitor complex of JNK3

Contents

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.

Disease

Known diseases associated with this structure: Epileptic encephalopathy, Lennox-Gastaut type OMIM:[602897]

About this Structure

2B1P is a Single protein structure of sequence from Homo sapiens with , and as ligands. Active as Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 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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