3MS9

ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket

Summary for 3MS9

• Entry DOI: 10.2210/pdb3ms9/pdb
• Related: 3MSS
• Descriptor: Tyrosine-protein kinase ABL1, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, methyl 2-amino-4-chlorobenzoate, ... (5 entities in total)
• Functional Keywords: kinase, fragment-based screening, fbs, transferase, transferase-transferase regulator complex, transferase/transferase regulator
• Biological source: Mus musculus (mouse)
• Cellular location: Cytoplasm, cytoskeleton: P00520
• Total number of polymer chains: 2
• Total formula weight: 69058.19

Authors

Cowan-Jacob, S.W.,Rummel, G.,Fendrich, G. (deposition date: 2010-04-29, release date: 2010-05-26, Last modification date: 2024-02-21)

• Primary citation: Jahnke, W.,Grotzfeld, R.M.,Pelle, X.,Strauss, A.,Fendrich, G.,Cowan-Jacob, S.W.,Cotesta, S.,Fabbro, D.,Furet, P.,Mestan, J.,Marzinzik, A.L.; Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay.; J.Am.Chem.Soc., 132:7043-7048, 2010; PubMed: 20450175; DOI: 10.1021/ja101837n

Experimental method

X-RAY DIFFRACTION (1.8 Å)