3HA8

THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b

3HA8 の概要

• エントリーDOI: 10.2210/pdb3ha8/pdb
• 関連するPDBエントリー: 3HA6
• 分子名称: Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide (3 entities in total)
• 機能のキーワード: transferase, inhibitor, map kinase, serine/ threonine-protein kinase, p38, atp-binding, kinase, nucleotide-binding, nucleus, phosphoprotein, serine/threonine-protein kinase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm (By similarity): Q16539
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 44046.09

構造登録者

Zhao, B.,Clark, M.A. (登録日: 2009-05-01, 公開日: 2009-08-04, 最終更新日: 2023-09-06)

主引用文献

Clark, M.A.,Acharya, R.A.,Arico-Muendel, C.C.,Belyanskaya, S.L.,Benjamin, D.R.,Carlson, N.R.,Centrella, P.A.,Chiu, C.H.,Creaser, S.P.,Cuozzo, J.W.,Davie, C.P.,Ding, Y.,Franklin, G.J.,Franzen, K.D.,Gefter, M.L.,Hale, S.P.,Hansen, N.J.,Israel, D.I.,Jiang, J.,Kavarana, M.J.,Kelley, M.S.,Kollmann, C.S.,Li, F.,Lind, K.,Mataruse, S.,Medeiros, P.F.,Messer, J.A.,Myers, P.,O'Keefe, H.,Oliff, M.C.,Rise, C.E.,Satz, A.L.,Skinner, S.R.,Svendsen, J.L.,Tang, L.,van Vloten, K.,Wagner, R.W.,Yao, G.,Zhao, B.,Morgan, B.A.
Design, synthesis and selection of DNA-encoded small-molecule libraries.
Nat.Chem.Biol., 5:647-654, 2009

PubMed Abstract: Biochemical combinatorial techniques such as phage display, RNA display and oligonucleotide aptamers have proven to be reliable methods for generation of ligands to protein targets. Adapting these techniques to small synthetic molecules has been a long-sought goal. We report the synthesis and interrogation of an 800-million-member DNA-encoded library in which small molecules are covalently attached to an encoding oligonucleotide. The library was assembled by a combination of chemical and enzymatic synthesis, and interrogated by affinity selection. We describe methods for the selection and deconvolution of the chemical display library, and the discovery of inhibitors for two enzymes: Aurora A kinase and p38 MAP kinase.

PubMed: 19648931
DOI: 10.1038/nchembio.211

実験手法

X-RAY DIFFRACTION (2.48 Å)