4OTF

Crystal structure of the kinase domain of Bruton's Tyrosine kinase with GDC0834

Summary for 4OTF

• Entry DOI: 10.2210/pdb4otf/pdb
• Related: 3OCS 3OCT 3P03
• Descriptor: Tyrosine-protein kinase BTK, SULFATE ION, N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, ... (4 entities in total)
• Functional Keywords: kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: Q06187
• Total number of polymer chains: 1
• Total formula weight: 32617.37

Authors

Hymowitz, S.G.,Maurer, B. (deposition date: 2014-02-13, release date: 2015-01-28, Last modification date: 2023-12-06)

• Primary citation: Young, W.B.,Barbosa, J.,Blomgren, P.,Bremer, M.C.,Crawford, J.J.,Dambach, D.,Gallion, S.,Hymowitz, S.G.,Kropf, J.E.,Lee, S.H.,Liu, L.,Lubach, J.W.,Macaluso, J.,Maciejewski, P.,Maurer, B.,Mitchell, S.A.,Ortwine, D.F.,Di Paolo, J.,Reif, K.,Scheerens, H.,Schmitt, A.,Sowell, C.G.,Wang, X.,Wong, H.,Xiong, J.M.,Xu, J.,Zhao, Z.,Currie, K.S.; Potent and selective Bruton's tyrosine kinase inhibitors: Discovery of GDC-0834.; Bioorg.Med.Chem.Lett., 25:1333-1337, 2015; PubMed: 25701252; DOI: 10.1016/j.bmcl.2015.01.032

Experimental method

X-RAY DIFFRACTION (1.95 Å)