5IME

Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9

Summary for 5IME

• Entry DOI: 10.2210/pdb5ime/pdb
• Descriptor: Serine/threonine-protein kinase PAK 1, 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one (3 entities in total)
• Functional Keywords: transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm : Q13153
• Total number of polymer chains: 2
• Total formula weight: 67992.83

Authors

Li, D.,Wang, W. (deposition date: 2016-03-06, release date: 2016-05-25, Last modification date: 2023-09-27)

• Primary citation: Rudolph, J.,Murray, L.J.,Ndubaku, C.O.,O'Brien, T.,Blackwood, E.,Wang, W.,Aliagas, I.,Gazzard, L.,Crawford, J.J.,Drobnick, J.,Lee, W.,Zhao, X.,Hoeflich, K.P.,Favor, D.A.,Dong, P.,Zhang, H.,Heise, C.E.,Oh, A.,Ong, C.C.,La, H.,Chakravarty, P.,Chan, C.,Jakubiak, D.,Epler, J.,Ramaswamy, S.,Vega, R.,Cain, G.,Diaz, D.,Zhong, Y.; Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window.; J.Med.Chem., 59:5520-5541, 2016; PubMed: 27167326; DOI: 10.1021/acs.jmedchem.6b00638

Experimental method

X-RAY DIFFRACTION (2.217 Å)