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 | |
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 Cited by PubMed: 27167326DOI: 10.1021/acs.jmedchem.6b00638 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.217 Å) |
Structure validation
Download full validation report