4QT1

JAK3 kinase domain in complex with 1-[(3S)-1-isobutylsulfonyl-3-piperidyl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea

Summary for 4QT1

Entry DOI	10.2210/pdb4qt1/pdb
Descriptor	Tyrosine-protein kinase JAK3, 1-{(3S)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea (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 : P52333
Total number of polymer chains	1
Total formula weight	35994.06
Authors	Kuglstatter, A.,Shao, A. (deposition date: 2014-07-07, release date: 2015-05-27, Last modification date: 2023-11-08)
Primary citation	De Vicente, J.,Lemoine, R.,Bartlett, M.,Hermann, J.C.,Hekmat-Nejad, M.,Henningsen, R.,Jin, S.,Kuglstatter, A.,Li, H.,Lovey, A.J.,Menke, J.,Niu, L.,Patel, V.,Petersen, A.,Setti, L.,Shao, A.,Tivitmahaisoon, P.,Vu, M.D.,Soth, M. Scaffold hopping towards potent and selective JAK3 inhibitors: discovery of novel C-5 substituted pyrrolopyrazines Bioorg.Med.Chem.Lett., 24:4969-4975, 2014 Cited by PubMed: 25262541 DOI: 10.1016/j.bmcl.2014.09.031 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation