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4IVC

JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE

4IVC の概要
エントリーDOI10.2210/pdb4ivc/pdb
関連するPDBエントリー4IVA 4IVB 4IVD
分子名称Tyrosine-protein kinase JAK1, (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile (3 entities in total)
機能のキーワードprotein kinase, phospho transfer, phospho tyrosine, transferase- transferase inhibitor complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
由来する生物種Homo sapiens (human)
細胞内の位置Endomembrane system; Peripheral membrane protein: P23458
タンパク質・核酸の鎖数2
化学式量合計70139.97
構造登録者
Eigenbrot, C.,Shia, S. (登録日: 2013-01-22, 公開日: 2013-05-22, 最終更新日: 2023-12-06)
主引用文献Zak, M.,Hurley, C.A.,Ward, S.I.,Bergeron, P.,Barrett, K.,Balazs, M.,Blair, W.S.,Bull, R.,Chakravarty, P.,Chang, C.,Crackett, P.,Deshmukh, G.,Devoss, J.,Dragovich, P.S.,Eigenbrot, C.,Ellwood, C.,Gaines, S.,Ghilardi, N.,Gibbons, P.,Gradl, S.,Gribling, P.,Hamman, C.,Harstad, E.,Hewitt, P.,Johnson, A.,Johnson, T.,Kenny, J.R.,Koehler, M.F.,Bir Kohli, P.,Labadie, S.,Lee, W.P.,Liao, J.,Liimatta, M.,Mendonca, R.,Narukulla, R.,Pulk, R.,Reeve, A.,Savage, S.,Shia, S.,Steffek, M.,Ubhayakar, S.,van Abbema, A.,Aliagas, I.,Avitabile-Woo, B.,Xiao, Y.,Yang, J.,Kulagowski, J.J.
Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56:4764-4785, 2013
Cited by
PubMed: 23659214
DOI: 10.1021/jm4004895
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (2.35 Å)
構造検証レポート
Validation report summary of 4ivc
検証レポート(詳細版)ダウンロードをダウンロード

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件を2024-03-27に公開中

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