3QRK

The crystal structure of human abl1 kinase domain in complex with DP-987

Summary for 3QRK

• Entry DOI: 10.2210/pdb3qrk/pdb
• Related: 3QRI 3QRJ
• Descriptor: Tyrosine-protein kinase ABL1, (3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (3 entities in total)
• Functional Keywords: abl1, kinase, kinase domain, 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: 1
• Total formula weight: 32613.13

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 (2.3 Å)