4W9X

Crystal Structure of BMP-2-inducible kinase in complex with baricitinib

4W9X の概要

• エントリーDOI: 10.2210/pdb4w9x/pdb
• 関連するPDBエントリー: 4W9W
• 分子名称: BMP-2-inducible protein kinase, 1,2-ETHANEDIOL, Baricitinib, ... (4 entities in total)
• 機能のキーワード: kinase, small-molecule, catalytic domain, protein binding, inhibitor, structural genomics, structural genomics consortium, sgc, transferase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Nucleus : Q9NSY1
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35286.59

構造登録者

Sorrell, F.J.,Elkins, J.M.,Krojer, T.,Williams, E.,Savitsky, P.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Knapp, S.,Structural Genomics Consortium (SGC) (登録日: 2014-08-28, 公開日: 2014-09-10, 最終更新日: 2024-05-08)

主引用文献

Sorrell, F.J.,Szklarz, M.,Abdul Azeez, K.R.,Elkins, J.M.,Knapp, S.
Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24:401-411, 2016

PubMed Abstract: The highly diverse Numb-associated kinase (NAK) family has been linked to broad cellular functions including receptor-mediated endocytosis, Notch pathway modulation, osteoblast differentiation, and dendrite morphogenesis. Consequently, NAK kinases play a key role in a diverse range of diseases from Parkinson's and prostate cancer to HIV. Due to the plasticity of this kinase family, NAK kinases are often inhibited by approved or investigational drugs and have been associated with side effects, but they are also potential drug targets. The presence of cysteine residues in some NAK family members provides the possibility for selective targeting via covalent inhibition. Here we report the first high-resolution structures of kinases AAK1 and BIKE in complex with two drug candidates. The presented data allow a comprehensive structural characterization of the NAK kinase family and provide the basis for rational design of selective NAK inhibitors.

PubMed: 26853940
DOI: 10.1016/j.str.2015.12.015

実験手法

X-RAY DIFFRACTION (2.14 Å)