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4HCU

Crystal structure of ITK in complext with compound 40

Summary for 4HCU
Entry DOI10.2210/pdb4hcu/pdb
Related4HCT 4HCV
DescriptorTyrosine-protein kinase ITK/TSK, 3-{4-amino-1-[(3R)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide (3 entities in total)
Functional Keywordskinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm: Q08881
Total number of polymer chains1
Total formula weight31160.62
Authors
Han, S.,Caspers, N. (deposition date: 2012-10-01, release date: 2012-11-14, Last modification date: 2024-03-06)
Primary citationZapf, C.W.,Gerstenberger, B.S.,Xing, L.,Limburg, D.C.,Anderson, D.R.,Caspers, N.,Han, S.,Aulabaugh, A.,Kurumbail, R.,Shakya, S.,Li, X.,Spaulding, V.,Czerwinski, R.M.,Seth, N.,Medley, Q.G.
Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay.
J.Med.Chem., 55:10047-10063, 2012
Cited by
PubMed: 23098091
DOI: 10.1021/jm301190s
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.43 Å)
Structure validation

217705

數據於2024-03-27公開中

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