2XNE
Structure of Aurora-A bound to an imidazopyrazine inhibitor
Summary for 2XNE
Entry DOI | 10.2210/pdb2xne/pdb |
Related | 1MQ4 1MUO 1OL5 1OL6 1OL7 2BMC 2C6D 2C6E 2J4Z 2J50 2W1C 2W1D 2W1E 2W1F 2W1G 2WQE 2WTV 2WTW 2X6D 2X6E 2X81 2XNG |
Descriptor | SERINE/THREONINE-PROTEIN KINASE 6, 3-chloro-N-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine (3 entities in total) |
Functional Keywords | ser-thr protein kinase complex, proto-oncogene, kinase, mitosis, cell cycle, microtubule, transferase, cytoskeleton, cell division |
Biological source | HOMO SAPIENS (HUMAN) |
Cellular location | Cytoplasm, cytoskeleton, microtubule organizing center, centrosome : O14965 |
Total number of polymer chains | 1 |
Total formula weight | 32033.24 |
Authors | Kosmopoulou, M.,Bayliss, R. (deposition date: 2010-08-02, release date: 2010-09-22, Last modification date: 2023-12-20) |
Primary citation | Bouloc, N.,Large, J.M.,Kosmopoulou, M.,Sun, C.,Faisal, A.,Matteucci, M.,Reynisson, J.,Brown, N.,Atrash, B.,Blagg, J.,McDonald, E.,Linardopoulos, S.,Bayliss, R.,Bavetsias, V. Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells. Bioorg. Med. Chem. Lett., 20:5988-5993, 2010 Cited by PubMed Abstract: Co-crystallisation of the imidazo[1,2-a]pyrazine derivative 15 (3-chloro-N-(4-morpholinophenyl)-6-(pyridin-3-yl)imidazo[1,2-a]pyrazin-8-amine) with Aurora-A provided an insight into the interactions of this class of compound with Aurora kinases. This led to the design and synthesis of potent Aurora-A inhibitors demonstrating up to 70-fold selectivity in cell-based Aurora kinase pharmacodynamic biomarker assays. PubMed: 20833547DOI: 10.1016/j.bmcl.2010.08.091 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.8 Å) |
Structure validation
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