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4IVC

JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE

Summary for 4IVC
Entry DOI10.2210/pdb4ivc/pdb
Related4IVA 4IVB 4IVD
DescriptorTyrosine-protein kinase JAK1, (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile (3 entities in total)
Functional Keywordsprotein kinase, phospho transfer, phospho tyrosine, transferase- transferase inhibitor complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationEndomembrane system; Peripheral membrane protein: P23458
Total number of polymer chains2
Total formula weight70139.97
Authors
Eigenbrot, C.,Shia, S. (deposition date: 2013-01-22, release date: 2013-05-22, Last modification date: 2023-12-06)
Primary citationZak, M.,Hurley, C.A.,Ward, S.I.,Bergeron, P.,Barrett, K.,Balazs, M.,Blair, W.S.,Bull, R.,Chakravarty, P.,Chang, C.,Crackett, P.,Deshmukh, G.,Devoss, J.,Dragovich, P.S.,Eigenbrot, C.,Ellwood, C.,Gaines, S.,Ghilardi, N.,Gibbons, P.,Gradl, S.,Gribling, P.,Hamman, C.,Harstad, E.,Hewitt, P.,Johnson, A.,Johnson, T.,Kenny, J.R.,Koehler, M.F.,Bir Kohli, P.,Labadie, S.,Lee, W.P.,Liao, J.,Liimatta, M.,Mendonca, R.,Narukulla, R.,Pulk, R.,Reeve, A.,Savage, S.,Shia, S.,Steffek, M.,Ubhayakar, S.,van Abbema, A.,Aliagas, I.,Avitabile-Woo, B.,Xiao, Y.,Yang, J.,Kulagowski, J.J.
Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56:4764-4785, 2013
Cited by
PubMed: 23659214
DOI: 10.1021/jm4004895
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.35 Å)
Structure validation

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