5UT4

JAK2 JH2 in complex with NVP-BSK805

5UT4 の概要

• エントリーDOI: 10.2210/pdb5ut4/pdb
• 関連するPDBエントリー: 5USY 5USZ 5UT0 5UT1 5UT2 5UT3 5UT5 5UT6
• 分子名称: Tyrosine-protein kinase JAK2, 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1H-pyrazol-4-yl)quinoxaline, GLYCEROL, ... (5 entities in total)
• 機能のキーワード: pseudokinase domain, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 33873.83

構造登録者

Puleo, D.E.,Schlessinger, J. (登録日: 2017-02-14, 公開日: 2017-06-07, 最終更新日: 2023-10-04)

主引用文献

Newton, A.S.,Deiana, L.,Puleo, D.E.,Cisneros, J.A.,Cutrona, K.J.,Schlessinger, J.,Jorgensen, W.L.
JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules.
ACS Med Chem Lett, 8:614-617, 2017

PubMed Abstract: A competitive fluorescence polarization (FP) assay is reported for determining binding affinities of probe molecules with the pseudokinase JAK2 JH2 allosteric site. The syntheses of the fluorescent and used in the assay are reported as well as results for 10 compounds, including JNJ7706621, NVP-BSK805, and filgotinib (GLPG0634). X-ray crystal structures of JAK2 JH2 in complex with NVP-BSK805, filgotinib, and diaminopyrimidine elucidate the binding poses.

PubMed: 28626520
DOI: 10.1021/acsmedchemlett.7b00154

実験手法

X-RAY DIFFRACTION (2 Å)