7AW0
MerTK kinase domain in complex with purine inhibitor
Summary for 7AW0
Entry DOI | 10.2210/pdb7aw0/pdb |
Descriptor | Tyrosine-protein kinase Mer, 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-N-methyl-9H-purin-6-amine (3 entities in total) |
Functional Keywords | tyrosine kinase, inhibitor, type1 kinase inhibitor, structure-based drug design, oncology, signaling protein |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 34741.13 |
Authors | Schimpl, M.,Nissink, J.W.M.,Blackett, C.,Clarke, M.,Disch, J.,Goldberg, K.,Guilinger, J.,Hennessy, E.J.,Jetson, R.,Ginkunja, D.,Hardaker, E.,Keefe, A.,McCoull, W.,McMurray, L.,Collingwood, O.,Overman, R.,Pflug, A.,Preston, M.,Rawlins, P.,Rivers, E.,Smith, P.,Underwood, E.,Truman, C.,Warwicker, J.,Winter, J.,Woodcock, S.,Zhang, Y. (deposition date: 2020-11-06, release date: 2021-03-03, Last modification date: 2024-05-01) |
Primary citation | Nissink, J.W.M.,Bazzaz, S.,Blackett, C.,Clark, M.A.,Collingwood, O.,Disch, J.S.,Gikunju, D.,Goldberg, K.,Guilinger, J.P.,Hardaker, E.,Hennessy, E.J.,Jetson, R.,Keefe, A.D.,McCoull, W.,McMurray, L.,Olszewski, A.,Overman, R.,Pflug, A.,Preston, M.,Rawlins, P.B.,Rivers, E.,Schimpl, M.,Smith, P.,Truman, C.,Underwood, E.,Warwicker, J.,Winter-Holt, J.,Woodcock, S.,Zhang, Y. Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64:3165-3184, 2021 Cited by PubMed: 33683117DOI: 10.1021/acs.jmedchem.0c01904 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.893 Å) |
Structure validation
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