7ALE

Crystal structure of human PAICS in complex with inhibitor 69

7ALE の概要

• エントリーDOI: 10.2210/pdb7ale/pdb
• 分子名称: Multifunctional protein ADE2, 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide, (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid (3 entities in total)
• 機能のキーワード: de novo purine biosynthesis, nucleotide metabolism, cancer target, rational drug design, ligase
• 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: 96209.62

構造登録者

Skerlova, J.,Marttila, P.,Unterlass, J.,Jemth, A.-S.,Henriksson, M.,Wakchaure, P.,Grube, M.,Warpman Berglund, U.,Homan, E.,Helleday, T.,Stenmark, P. (登録日: 2020-10-06, 公開日: 2022-04-20, 最終更新日: 2024-01-31)

• 主引用文献: Marttila, P.,Skerlova, J.,Unterlass, J.,Jemth, A.-S.,Henriksson, M.,Wakchaure, P.,Grube, M.,Warpman Berglund, U.,Homan, E.,Stenmark, P.,Helleday, T.; Cellular and biochemical validation of a potent PAICS inhibitor; To Be Published,

実験手法

X-RAY DIFFRACTION (2.95 Å)