4E4N

JAK1 kinase (JH1 domain) in complex with compound 49

Summary for 4E4N

• Entry DOI: 10.2210/pdb4e4n/pdb
• Related: 4E4L 4E4M 4E5W 4E6D 4E6Q
• Descriptor: Tyrosine-protein kinase JAK1, tert-butyl [(1R,3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclopentyl]carbamate (3 entities in total)
• Functional Keywords: o-phosphotyrosine, 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: 2
• Total formula weight: 70176.00

Authors

Eigenbrot, C. (deposition date: 2012-03-13, release date: 2012-05-30, Last modification date: 2023-12-06)

• Primary citation: Kulagowski, J.J.,Blair, W.,Bull, R.J.,Chang, C.,Deshmukh, G.,Dyke, H.J.,Eigenbrot, C.,Ghilardi, N.,Gibbons, P.,Harrison, T.K.,Hewitt, P.R.,Liimatta, M.,Hurley, C.A.,Johnson, A.,Johnson, T.,Kenny, J.R.,Bir Kohli, P.,Maxey, R.J.,Mendonca, R.,Mortara, K.,Murray, J.,Narukulla, R.,Shia, S.,Steffek, M.,Ubhayakar, S.,Ultsch, M.,van Abbema, A.,Ward, S.I.,Waszkowycz, B.,Zak, M.; Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.; J.Med.Chem., 55:5901-5921, 2012; PubMed: 22591402; DOI: 10.1021/jm300438j

Experimental method

X-RAY DIFFRACTION (1.9 Å)