8GMD

CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 COMPLEXED WITH (5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol

8GMD の概要

• エントリーDOI: 10.2210/pdb8gmd/pdb
• 分子名称: AP2-associated protein kinase 1, (5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: ap2 associated kinase 1, aak1, kinase, ligand inhibitor, transferase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 73568.15

構造登録者

Muckelbauer, J.K. (登録日: 2023-03-24, 公開日: 2023-07-12, 最終更新日: 2023-10-25)

• 主引用文献: Dzierba, C.D.,Dasgupta, B.,Karageorge, G.,Kostich, W.,Hamman, B.,Allen, J.,Esposito, K.M.,Padmanabha, R.,Grace, J.,Lentz, K.,Morrison, J.,Morgan, D.,Easton, A.,Bourin, C.,Browning, M.R.,Rajamani, R.,Good, A.,Parker, D.D.,Muckelbauer, J.K.,Khan, J.,Camac, D.,Ghosh, K.,Halan, V.,Lippy, J.S.,Santone, K.S.,Denton, R.R.,Westphal, R.,Bristow, L.J.,Conway, C.M.,Bronson, J.J.,Macor, J.E.; Discovery of pyrrolo[2,1- f ][1,2,4]triazine-based inhibitors of adaptor protein 2-associated kinase 1 for the treatment of pain.; Med.Chem.Res., :1-7, 2023; PubMed: 37362320; DOI: 10.1007/s00044-023-03079-x

実験手法

X-RAY DIFFRACTION (2.2 Å)