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3V5J

Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 090

Summary for 3V5J
Entry DOI10.2210/pdb3v5j/pdb
Related3V5L 3V8T 3V8W 3VF8 3VF9
DescriptorTyrosine-protein kinase ITK/TSK, 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol, SULFATE ION, ... (4 entities in total)
Functional Keywordskinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Total number of polymer chains2
Total formula weight61598.40
Authors
McLean, L.R.,Zhang, Y. (deposition date: 2011-12-16, release date: 2012-05-02, Last modification date: 2023-09-13)
Primary citationMcLean, L.R.,Zhang, Y.,Zaidi, N.,Bi, X.,Wang, R.,Dharanipragada, R.,Jurcak, J.G.,Gillespy, T.A.,Zhao, Z.,Musick, K.Y.,Choi, Y.M.,Barrague, M.,Peppard, J.,Smicker, M.,Duguid, M.,Parkar, A.,Fordham, J.,Kominos, D.
X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22:3296-3300, 2012
Cited by
PubMed: 22464456
DOI: 10.1016/j.bmcl.2012.03.016
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.59 Å)
Structure validation

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