4HVI

JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-1-methyl-2-oxo-2-piperidin-1-yl-ethyl)-amide

Summary for 4HVI

• Entry DOI: 10.2210/pdb4hvi/pdb
• Related: 4HVD 4HVG 4HVH
• Descriptor: Tyrosine-protein kinase JAK3, 2-cyclopropyl-N-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (3 entities in total)
• Functional Keywords: kinase-inhibitor complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Endomembrane system; Peripheral membrane protein (By similarity): P52333
• Total number of polymer chains: 1
• Total formula weight: 35955.01

Authors

Kuglstatter, A.,Shao, A. (deposition date: 2012-11-06, release date: 2013-01-16, Last modification date: 2023-09-20)

• Primary citation: Soth, M.,Hermann, J.C.,Yee, C.,Alam, M.,Barnett, J.W.,Berry, P.,Browner, M.F.,Frank, K.,Frauchiger, S.,Harris, S.,He, Y.,Hekmat-Nejad, M.,Hendricks, T.,Henningsen, R.,Hilgenkamp, R.,Ho, H.,Hoffman, A.,Hsu, P.Y.,Hu, D.Q.,Itano, A.,Jaime-Figueroa, S.,Jahangir, A.,Jin, S.,Kuglstatter, A.,Kutach, A.K.,Liao, C.,Lynch, S.,Menke, J.,Niu, L.,Patel, V.,Railkar, A.,Roy, D.,Shao, A.,Shaw, D.,Steiner, S.,Sun, Y.,Tan, S.L.,Wang, S.,Vu, M.D.; 3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.; J.Med.Chem., 56:345-356, 2013; PubMed: 23214979; DOI: 10.1021/jm301646k

Experimental method

X-RAY DIFFRACTION (2.4 Å)