2VWY

ephB4 kinase domain inhibitor complex

2VWY の概要

• エントリーDOI: 10.2210/pdb2vwy/pdb
• 関連するPDBエントリー: 2BBA 2VWU 2VWV 2VWW 2VWX 2VWZ 2VX0 2VX1
• 分子名称: EPHRIN TYPE-B RECEPTOR 4, N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine, MAGNESIUM ION, ... (4 entities in total)
• 機能のキーワード: tyrosine-protein kinase, receptor tyrosine kinase, kinase, mutant, membrane, receptor, transferase, atp-binding, polymorphism, glycoprotein, transmembrane, phosphoprotein, unphosphorylated, nucleotide-binding
• 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: 34426.58

構造登録者

Read, J.,Brassington, C.A.,Green, I.,McCall, E.J.,Valentine, A.L.,Barratt, D.,Leach, A.G.,Kettle, J.G. (登録日: 2008-06-30, 公開日: 2008-10-28, 最終更新日: 2023-12-13)

主引用文献

Bardelle, C.,Coleman, T.,Cross, D.,Davenport, S.,Kettle, J.G.,Ko, E.J.,Leach, A.G.,Mortlock, A.,Read, J.,Roberts, N.J.,Robins, P.,Williams, E.J.
Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18:5717-, 2008

PubMed Abstract: Crystallographic studies of a range of 3-substituted anilinopyrimidine inhibitors of EphB4 have highlighted two alternative C-2 aniline conformations and this discovery has been exploited in the design of a highly potent series of 3,5-disubstituted anilinopyrimidines. The observed range of cellular activities has been rationalised on the basis of physicochemical and structural characteristics.

PubMed: 18851911
DOI: 10.1016/J.BMCL.2008.09.087

実験手法

X-RAY DIFFRACTION (1.65 Å)