4EBW

Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor

Summary for 4EBW

• Entry DOI: 10.2210/pdb4ebw/pdb
• Related: 4EBV
• Descriptor: Focal adhesion kinase 1, 1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide (3 entities in total)
• Functional Keywords: kinase domain, allosteric inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cell junction, focal adhesion: Q05397
• Total number of polymer chains: 1
• Total formula weight: 35461.78

Authors

Iwatani, M.,Iwata, H.,Okabe, A.,Skene, R.J.,Tomita, N.,Hayashi, Y.,Aramaki, Y.,Hosfield, D.J.,Hori, A.,Baba, A.,Miki, H. (deposition date: 2012-03-25, release date: 2012-07-25, Last modification date: 2013-03-27)

• Primary citation: Iwatani, M.,Iwata, H.,Okabe, A.,Skene, R.J.,Tomita, N.,Hayashi, Y.,Aramaki, Y.,Hosfield, D.J.,Hori, A.,Baba, A.,Miki, H.; Discovery and characterization of novel allosteric FAK inhibitors.; Eur.J.Med.Chem., 61:49-60, 2013; PubMed: 22819505; DOI: 10.1016/j.ejmech.2012.06.035

Experimental method

X-RAY DIFFRACTION (2.65 Å)