4EHZ

The Jak1 kinase domain in complex with inhibitor

Summary for 4EHZ

• Entry DOI: 10.2210/pdb4ehz/pdb
• Descriptor: Tyrosine-protein kinase JAK1, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Endomembrane system; Peripheral membrane protein: P23458
• Total number of polymer chains: 4
• Total formula weight: 140752.46

Authors

Lupardus, P.J.,Steffek, M. (deposition date: 2012-04-04, release date: 2012-07-04, Last modification date: 2013-01-23)

• Primary citation: Zak, M.,Mendonca, R.,Balazs, M.,Barrett, K.,Bergeron, P.,Blair, W.S.,Chang, C.,Deshmukh, G.,Devoss, J.,Dragovich, P.S.,Eigenbrot, C.,Ghilardi, N.,Gibbons, P.,Gradl, S.,Hamman, C.,Hanan, E.J.,Harstad, E.,Hewitt, P.R.,Hurley, C.A.,Jin, T.,Johnson, A.,Johnson, T.,Kenny, J.R.,Koehler, M.F.,Bir Kohli, P.,Kulagowski, J.J.,Labadie, S.,Liao, J.,Liimatta, M.,Lin, Z.,Lupardus, P.J.,Maxey, R.J.,Murray, J.M.,Pulk, R.,Rodriguez, M.,Savage, S.,Shia, S.,Steffek, M.,Ubhayakar, S.,Ultsch, M.,van Abbema, A.,Ward, S.I.,Xiao, L.,Xiao, Y.; Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.; J.Med.Chem., 55:6176-6193, 2012; PubMed: 22698084; DOI: 10.1021/jm300628c

Experimental method

X-RAY DIFFRACTION (2.174 Å)