2h96 Summary

pdbe.org/2h96
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Discovery of Potent, Highly Selective, and Orally Bioavailable Pyridine Carboxamide C-jun NH2-terminal Kinase Inhibitors

The structure was published by Zhao, H., Serby, M.D., Xin, Z., et al., Trevillyan, J.M., Sham, H.L., and Liu, G., in 2006 in a paper entitled "Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 3.0 Å and deposited in 2006.

The experimental data on which the structure is based was not deposited.

This PDB entry contains a complex of 2 biomacromolecules, namely Mitogen-activated protein kinase 8 and C-jun-amino-terminal kinase-interacting protein 1.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule has more than one probable quaternary state observed. For more details see the quaternary structure page.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):


Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A Mitogen-activated protein kinase 8 P45983 (1-364) (MK08_HUMAN)search Homo sapienssearch < 90% 370 97%
B Mitogen-activated protein kinase 8 P45983 (1-364) (MK08_HUMAN)search Homo sapienssearch < 90% 370 97%
F C-jun-amino-terminal kinase-interacting protein 1 Q9UQF2 (157-167) (JIP1_HUMAN)search Homo sapienssearch < 90% 11 90%
G C-jun-amino-terminal kinase-interacting protein 1 Q9UQF2 (157-167) (JIP1_HUMAN)search Homo sapienssearch < 90% 11 90%


This entry contains 2 unique UniProt proteins:

UniProt accession Name Organism PDB
P45983 (1 - 364) Mitogen-activated protein kinase 8 Homo sapiens
Q9UQF2 (157 - 167) C-jun-amino-terminal kinase-interacting protein 1

Chain Structural classification (CATH) Sequence family (Pfam)
A, B Phosphorylase Kinase; domain 1search, Transferase(Phosphotransferase) domain 1search Protein kinase domainsearch
F, G

Chain ID Biological process (GO) Molecular function (GO)
A, B (P45983) protein phosphorylationsearch ATP bindingsearch protein kinase activitysearch MAP kinase activitysearch transferase activity, transferring phosphorus-containing groupssearch protein serine/threonine kinase activitysearch

Chain InterPro annotation
A, B Protein kinase domainsearch Serine/threonine/dual specificity protein kinase, catalytic domainsearch Mitogen-activated protein (MAP) kinase, conserved sitesearch Serine/threonine-protein kinase, active sitesearch Mitogen-activated protein (MAP) kinase, JNKsearch Protein kinase-like domainsearch
F, G