5DFP

Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036

Summary for 5DFP

• Entry DOI: 10.2210/pdb5dfp/pdb
• Related: 5DEW 5DEY
• Descriptor: Serine/threonine-protein kinase PAK 1, 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, ... (4 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: 1
• Total formula weight: 33963.43

Authors

Maksimoska, J.,Marmorstein, R.,Wang, W. (deposition date: 2015-08-27, release date: 2016-01-27)

• Primary citation: Ndubaku, C.O.,Crawford, J.J.,Drobnick, J.,Aliagas, I.,Campbell, D.,Dong, P.,Dornan, L.M.,Duron, S.,Epler, J.,Gazzard, L.,Heise, C.E.,Hoeflich, K.P.,Jakubiak, D.,La, H.,Lee, W.,Lin, B.,Lyssikatos, J.P.,Maksimoska, J.,Marmorstein, R.,Murray, L.J.,O'Brien, T.,Oh, A.,Ramaswamy, S.,Wang, W.,Zhao, X.,Zhong, Y.,Blackwood, E.,Rudolph, J.; Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.; Acs Med.Chem.Lett., 6:1241-1246, 2015; PubMed: 26713112; DOI: 10.1021/acsmedchemlett.5b00398

Experimental method

X-RAY DIFFRACTION (2.2 Å)