3PWY

Crystal structure of an extender (SPD28345)-modified human PDK1 complex 2

Summary for 3PWY

• Entry DOI: 10.2210/pdb3pwy/pdb
• Descriptor: 3-phosphoinositide-dependent protein kinase 1, N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide (2 entities in total)
• Functional Keywords: kinase, fragment-based drug discovery, tethering with extenders, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: O15530
• Total number of polymer chains: 1
• Total formula weight: 35729.13

Authors

Elling, R.A.,Penny, D.M.,Simmons, R.L.,Erlanson, D.A.,Romanowski, M.J. (deposition date: 2010-12-09, release date: 2011-04-20, Last modification date: 2023-09-13)

• Primary citation: Erlanson, D.A.,Arndt, J.W.,Cancilla, M.T.,Cao, K.,Elling, R.A.,English, N.,Friedman, J.,Hansen, S.K.,Hession, C.,Joseph, I.,Kumaravel, G.,Lee, W.C.,Lind, K.E.,McDowell, R.S.,Miatkowski, K.,Nguyen, C.,Nguyen, T.B.,Park, S.,Pathan, N.,Penny, D.M.,Romanowski, M.J.,Scott, D.,Silvian, L.,Simmons, R.L.,Tangonan, B.T.,Yang, W.,Sun, L.; Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery.; Bioorg.Med.Chem.Lett., 21:3078-3083, 2011; PubMed: 21459573; DOI: 10.1016/j.bmcl.2011.03.032

Experimental method

X-RAY DIFFRACTION (3.5 Å)