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4ZJI

PAK1 in complex with 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine

Summary for 4ZJI
Entry DOI10.2210/pdb4zji/pdb
DescriptorSerine/threonine-protein kinase PAK 1, 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine, MAGNESIUM ION, ... (4 entities in total)
Functional Keywordsinhibitor, kinase, pak1, allosteric, transferase
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm: Q13153
Total number of polymer chains4
Total formula weight135193.73
Authors
Gutmann, S.,Rummel, G. (deposition date: 2015-04-29, release date: 2015-06-24, Last modification date: 2015-07-29)
Primary citationKarpov, 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: 26191365
DOI: 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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