4ZJI
PAK1 in complex with 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine
Summary for 4ZJI
Entry DOI | 10.2210/pdb4zji/pdb |
Descriptor | Serine/threonine-protein kinase PAK 1, 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine, MAGNESIUM ION, ... (4 entities in total) |
Functional Keywords | inhibitor, kinase, pak1, allosteric, transferase |
Biological source | Homo sapiens (Human) |
Cellular location | Cytoplasm: Q13153 |
Total number of polymer chains | 4 |
Total formula weight | 135193.73 |
Authors | Gutmann, S.,Rummel, G. (deposition date: 2015-04-29, release date: 2015-06-24, Last modification date: 2024-05-08) |
Primary citation | Karpov, A.S.,Amiri, P.,Bellamacina, C.,Bellance, M.H.,Breitenstein, W.,Daniel, D.,Denay, R.,Fabbro, D.,Fernandez, C.,Galuba, I.,Guerro-Lagasse, S.,Gutmann, S.,Hinh, L.,Jahnke, W.,Klopp, J.,Lai, A.,Lindvall, M.K.,Ma, S.,Mobitz, H.,Pecchi, S.,Rummel, G.,Shoemaker, K.,Trappe, J.,Voliva, C.,Cowan-Jacob, S.W.,Marzinzik, A.L. Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor. Acs Med.Chem.Lett., 6:776-781, 2015 Cited by PubMed: 26191365DOI: 10.1021/acsmedchemlett.5b00102 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.99 Å) |
Structure validation
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