9MZZ

Crystal structure of RIPK1 with compound 36

これはPDB形式変換不可エントリーです。

9MZZ の概要

• エントリーDOI: 10.2210/pdb9mzz/pdb
• 分子名称: Receptor-interacting serine/threonine-protein kinase 1, (2S,5S)-4-(3,3-difluoro-2,2-dimethylpropanoyl)-2,3,4,5-tetrahydro-2,5-methanopyrido[3,4-f][1,4]oxazepine-9-carbonitrile, IODIDE ION, ... (4 entities in total)
• 機能のキーワード: kinase, serine/threonine-protein kinase, inhibitor, transferase, transferase-inhibitor complex, transferase/inhibitor
• 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: 67060.79

構造登録者

Lesburg, C.A.,Palte, R.L.,Maskos, K.,Thomsen, M.,Lammens, A. (登録日: 2025-01-23, 公開日: 2025-05-28)

主引用文献

Chen, J.L.,Methot, J.L.,Mitcheltree, M.J.,Musacchio, A.,Corcoran, E.B.,Feng, G.,Lammens, A.,Maskos, K.,Palte, R.L.,Rickard, M.M.,Otte, K.M.,Mansueto, M.S.,Venkat, S.,Sondey, C.,Thomsen, M.,Lesburg, C.A.,Fradera, X.,Fell, M.J.,DiMauro, E.F.,Siliphaivanh, P.
The Discovery of Bridged Benzoazepine Amides as Selective Allosteric Modulators of RIPK1.
Acs Med.Chem.Lett., 16:811-818, 2025

PubMed Abstract: Receptor-interacting protein kinase 1 (RIPK1) plays an essential role in necroptosis, a form of inflammatory, caspase-independent, programmed cell death. Allosteric inhibitors of RIPK1 have been shown to block necroptotic cell death and thus may offer potential therapeutic opportunities across a range of infectious, autoimmune, and neurodegenerative diseases. We report the structure-informed discovery of a novel series of bridged benzoazepine amides as part of our efforts to develop a CNS-penetrant small-molecule inhibitor of RIPK1 with a low projected oral human dose.

PubMed: 40365380
DOI: 10.1021/acsmedchemlett.5c00063

実験手法

X-RAY DIFFRACTION (2.68 Å)