4HCT

Crystal structure of ITK in complex with compound 52

4HCT の概要

• エントリーDOI: 10.2210/pdb4hct/pdb
• 関連するPDBエントリー: 4hcu 4hcv
• 分子名称: Tyrosine-protein kinase ITK/TSK, 3-{1-[(3R)-1-acryloylpiperidin-3-yl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(3-tert-butylphenyl)benzamide (3 entities in total)
• 機能のキーワード: kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: Q08881
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 31172.63

構造登録者

Zapf, 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. (登録日: 2012-10-01, 公開日: 2012-11-14, 最終更新日: 2024-02-28)

• 主引用文献: Zapf, 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; PubMed: 23098091; DOI: 10.1021/jm301190s

実験手法

X-RAY DIFFRACTION (1.48 Å)