7RJ6

CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE

7RJ6 の概要

• エントリーDOI: 10.2210/pdb7rj6/pdb
• 分子名称: AP2-associated protein kinase 1, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, SULFATE ION, ... (5 entities in total)
• 機能のキーワード: kinase, aak1, ligand, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Mus musculus (Mouse)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 73291.80

構造登録者

Muckelbauer, J. (登録日: 2021-07-20, 公開日: 2022-02-23, 最終更新日: 2024-04-03)

• 主引用文献: Hartz, R.A.,Ahuja, V.T.,Nara, S.J.,Kumar, C.M.V.,Manepalli, R.K.V.L.P.,Sarvasiddhi, S.K.,Honkhambe, S.,Patankar, V.,Dasgupta, B.,Rajamani, R.,Muckelbauer, J.K.,Camac, D.M.,Ghosh, K.,Pokross, M.,Kiefer, S.E.,Brown, J.M.,Hunihan, L.,Gulianello, M.,Lewis, M.,Lippy, J.S.,Surti, N.,Hamman, B.D.,Allen, J.,Kostich, W.A.,Bronson, J.J.,Macor, J.E.,Dzierba, C.D.; Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.; J.Med.Chem., 65:4121-4155, 2022; PubMed: 35171586; DOI: 10.1021/acs.jmedchem.1c01966

実験手法

X-RAY DIFFRACTION (2.132 Å)