2no3 Summary

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Novel 4-anilinopyrimidines as potent JNK1 Inhibitors

The structure was published by Liu, M., Wang, S., Clampit, J.E., et al., Fry, E.H., Sham, H.L., and Liu, G., in 2007 in a paper entitled "Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 3.2 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 96%
B Mitogen-activated protein kinase 8 P45983 (1-364) (MK08_HUMAN)search Homo sapienssearch < 90% 370 96%
F C-JUN-AMINO-TERMINAL KINASE-INTERACTING protein 1 Not available
Synthetic Not available 11 90%
G C-JUN-AMINO-TERMINAL KINASE-INTERACTING protein 1 Not available
Synthetic Not available 11 90%


This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
P45983 (1 - 364) Mitogen-activated protein kinase 8 Homo sapiens

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 protein serine/threonine kinase activitysearch transferase activity, transferring phosphorus-containing groupssearch MAP 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