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3elj

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3elj, resolution 1.80Å ()
Ligands:
Gene: MAPK8, JNK1, PRKM8 (Homo sapiens)
Activity: Mitogen-activated protein kinase, with EC number 2.7.11.24
Related: 3ekk, 3ekn


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Contents

Jnk1 complexed with a bis-anilino-pyrrolopyrimidine inhibitor.

Publication Abstract from PubMed

The SAR of C5' functional groups with terminal basic amines at the C6 aniline of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines is reported. Examples demonstrate potent inhibition of IGF-1R with 1000-fold selectivity over JNK1 and 3 in enzymatic assays.

Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity., Chamberlain SD, Redman AM, Wilson JW, Deanda F, Shotwell JB, Gerding R, Lei H, Yang B, Stevens KL, Hassell AM, Shewchuk LM, Leesnitzer MA, Smith JL, Sabbatini P, Atkins C, Groy A, Rowand JL, Kumar R, Mook RA Jr, Moorthy G, Patnaik S, Bioorg Med Chem Lett. 2009 Jan 15;19(2):360-4. Epub 2008 Nov 24. PMID:19071018

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

About this Structure

3elj is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA.

See Also

Reference

  • Chamberlain SD, Redman AM, Wilson JW, Deanda F, Shotwell JB, Gerding R, Lei H, Yang B, Stevens KL, Hassell AM, Shewchuk LM, Leesnitzer MA, Smith JL, Sabbatini P, Atkins C, Groy A, Rowand JL, Kumar R, Mook RA Jr, Moorthy G, Patnaik S. Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity. Bioorg Med Chem Lett. 2009 Jan 15;19(2):360-4. Epub 2008 Nov 24. PMID:19071018 doi:S0960-894X(08)01461-3

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