3QD3

Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl {(3R,6S)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-3-piperidinyl}carbamate

Summary for 3QD3

• Entry DOI: 10.2210/pdb3qd3/pdb
• Related: 3NUN 3NUS 3NUU 3NUY 3QCQ 3QCS 3QCX 3QCY 3QD0 3QD4
• Descriptor: 3-phosphoinositide-dependent protein kinase 1, tert-butyl {(3R,6S)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl}carbamate, SULFATE ION, ... (5 entities in total)
• Functional Keywords: kinase domain, agc kinase, signal tranduction, atp & phosphoinositide, phosphorylation on s241, 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: 36371.63

Authors

Medina, J.R.,Becker, C.J.,Blackledge, C.W.,Duquenne, C.,Feng, Y.,Grant, S.W.,Heerding, D.,Li, W.H.,Miller, W.H.,Romeril, S.P.,Scherzer, D.,Shu, A.,Bobko, M.A.,Chadderton, A.R.,Dumble, M.,Gradiner, C.M.,Gilbert, S.,Liu, Q.,Rabindran, S.K.,Sudakin, V.,Xiang, H.,Brady, P.G.,Campobasso, N.,Ward, P.,Axten, J.M. (deposition date: 2011-01-17, release date: 2011-03-09, Last modification date: 2011-07-13)

• Primary citation: Medina, J.R.,Becker, C.J.,Blackledge, C.W.,Duquenne, C.,Feng, Y.,Grant, S.W.,Heerding, D.,Li, W.H.,Miller, W.H.,Romeril, S.P.,Scherzer, D.,Shu, A.,Bobko, M.A.,Chadderton, A.R.,Dumble, M.,Gardiner, C.M.,Gilbert, S.,Liu, Q.,Rabindran, S.K.,Sudakin, V.,Xiang, H.,Brady, P.G.,Campobasso, N.,Ward, P.,Axten, J.M.; Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.; J.Med.Chem., 54:1871-1895, 2011; PubMed: 21341675; DOI: 10.1021/jm101527u

Experimental method

X-RAY DIFFRACTION (2 Å)