4ZJJ

PAK1 in complex with (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide

Summary for 4ZJJ

• Entry DOI: 10.2210/pdb4zjj/pdb
• Related: 4ZJI
• Descriptor: Serine/threonine-protein kinase PAK 1, (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide, MAGNESIUM ION, ... (4 entities in total)
• Functional Keywords: pak1, inhibitor, kinase, allosteric, transferase
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: Q13153
• Total number of polymer chains: 4
• Total formula weight: 135534.15

Authors

Gutmann, S.,Rummel, G. (deposition date: 2015-04-29, release date: 2015-06-24, Last modification date: 2015-07-29)

• 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; PubMed: 26191365; DOI: 10.1021/acsmedchemlett.5b00102

Experimental method

X-RAY DIFFRACTION (2.2 Å)