3QRJ

The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036

Summary for 3QRJ

• Entry DOI: 10.2210/pdb3qrj/pdb
• Related: 3QRI 3QRK
• Descriptor: Tyrosine-protein kinase ABL1, 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide (3 entities in total)
• Functional Keywords: abl1, kinase, kinase domain, t315i, gatekeeper mutation, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm, cytoskeleton. Isoform IB: Nucleus membrane; Lipid-anchor: P00519
• Total number of polymer chains: 2
• Total formula weight: 65352.75

Authors

Chan, W.W.,Wise, S.C.,Kaufman, M.D.,Ahn, Y.M.,Ensinger, C.L.,Haack, T.,Hood, M.M.,Jones, J.,Lord, J.W.,Lu, W.P.,Miller, D.,Patt, W.C.,Smith, B.D.,Petillo, P.A.,Rutkoski, T.J.,Telikepalli, H.,Vogeti, L.,Yao, T.,Chun, L.,Clark, R.,Evangelista, P.,Gavrilescu, L.C.,Lazarides, K.,Zaleskas, V.M.,Stewart, L.J.,Van Etten, R.A.,Flynn, D.L. (deposition date: 2011-02-18, release date: 2011-06-01, Last modification date: 2024-04-03)

• Primary citation: Chan, W.W.,Wise, S.C.,Kaufman, M.D.,Ahn, Y.M.,Ensinger, C.L.,Haack, T.,Hood, M.M.,Jones, J.,Lord, J.W.,Lu, W.P.,Miller, D.,Patt, W.C.,Smith, B.D.,Petillo, P.A.,Rutkoski, T.J.,Telikepalli, H.,Vogeti, L.,Yao, T.,Chun, L.,Clark, R.,Evangelista, P.,Gavrilescu, L.C.,Lazarides, K.,Zaleskas, V.M.,Stewart, L.J.,Van Etten, R.A.,Flynn, D.L.; Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.; Cancer Cell, 19:556-568, 2011; PubMed: 21481795; DOI: 10.1016/j.ccr.2011.03.003

Experimental method

X-RAY DIFFRACTION (1.82 Å)