2W1I

Structure determination of Aurora Kinase in complex with inhibitor

Summary for 2W1I

• Entry DOI: 10.2210/pdb2w1i/pdb
• Related: 2B7A 2W1C 2W1D 2W1E 2W1F 2W1G 2W1H
• Descriptor: JAK2, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM (3 entities in total)
• Functional Keywords: chromosomal rearrangement, nucleotide-binding, tyrosine-protein kinase, proto-oncogene, phosphoprotein, disease mutation, sh2 domain, transferase, atp-binding, polymorphism, kinase, cancer, aurora, membrane, inhibitor
• Biological source: HOMO SAPIENS (HOMO SAPIENS)
• Cellular location: Endomembrane system; Peripheral membrane protein (By similarity): O60674
• Total number of polymer chains: 2
• Total formula weight: 77561.74

Authors

Howard, S.,Berdini, V.,Boulstridge, J.A.,Carr, M.G.,Cross, D.M.,Curry, J.,Devine, L.A.,Early, T.R.,Fazal, L.,Gill, A.L.,Heathcote, M.,Maman, S.,Matthews, J.E.,McMenamin, R.L.,Navarro, E.F.,O'Brien, M.A.,O'Reilly, M.,Rees, D.C.,Reule, M.,Tisi, D.,Williams, G.,Vinkovic, M.,Wyatt, P.G. (deposition date: 2008-10-17, release date: 2009-01-27, Last modification date: 2011-07-13)

• Primary citation: Howard, S.,Berdini, V.,Boulstridge, J.A.,Carr, M.G.,Cross, D.M.,Curry, J.,Devine, L.A.,Early, T.R.,Fazal, L.,Gill, A.L.,Heathcote, M.,Maman, S.,Matthews, J.E.,Mcmenamin, R.L.,Navarro, E.F.,O'Brien, M.A.,O'Reilly, M.,Rees, D.C.,Reule, M.,Tisi, D.,Williams, G.,Vinkovic, M.,Wyatt, P.G.; Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.; J.Med.Chem., 52:379-, 2009; PubMed: 19143567; DOI: 10.1021/JM800984V

Experimental method

X-RAY DIFFRACTION (2.6 Å)