4AN2

Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs.

4AN2 の概要

• エントリーDOI: 10.2210/pdb4an2/pdb
• 関連するPDBエントリー: 1S9J 4AN3 4AN9 4ANB
• 分子名称: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, [3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]-[3-OXIDANYL-3-[(2S)-PIPERIDIN-2-YL]AZETIDIN-1-YL]METHANONE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... (5 entities in total)
• 機能のキーワード: transferase, map2k1, atp-binding, allosteric inhibition
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Cytoplasm, cytoskeleton, microtubule organizing center, centrosome: Q02750
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34675.55

構造登録者

Rice, K.D.,Aay, N.,Anand, N.K.,Blazey, C.M.,Bowles, O.J.,Bussenius, J.,Costanzo, S.,Curtis, J.K.,Defina, S.C.,Dubenko, L.,Engst, S.,Joshi, A.A.,Kennedy, A.R.,Kim, A.I.,Koltun, E.S.,Lougheed, J.C.,Manalo, J.C.L.,Martini, J.F.,Nuss, J.M.,Peto, C.J.,Tsang, T.H.,Yu, P.,Johnston, S. (登録日: 2012-03-14, 公開日: 2012-12-19, 最終更新日: 2014-06-18)

• 主引用文献: Rice, K.D.,Aay, N.,Anand, N.K.,Blazey, C.M.,Bowles, O.J.,Bussenius, J.,Costanzo, S.,Curtis, J.K.,Defina, S.C.,Dubenko, L.,Engst, S.,Joshi, A.A.,Kennedy, A.R.,Kim, A.I.,Koltun, E.S.,Lougheed, J.C.,Manalo, J.C.L.,Martini, J.F.,Nuss, J.M.,Peto, C.J.,Tsang, T.H.,Yu, P.,Johnston, S.; Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973); Acs Med.Chem.Lett., 3:416-, 2012; PubMed: 24900486; DOI: 10.1021/ML300049D

実験手法

X-RAY DIFFRACTION (2.5 Å)