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

Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. Descriptor: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... Authors: 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. Deposit date: 2012-03-16 Release date: 2012-12-19 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973) Acs Med.Chem.Lett., 3, 2012

人源丝裂原活化蛋白激酶激酶1（MEK1）结合酰胺类变构抑制剂XL518（GDC-0973）或其相关类似物的晶体结构。描述项：双特异性丝裂原活化蛋白激酶激酶1、镁离子、磷甲基膦酸腺苷酯……作者：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.。提交日期：2012-03-16；发布日期：2012-12-19；最后修改日期：2024-05-01。实验方法：X射线衍射（分辨率2.2 Å）。引用文献：《新型基于酰胺的变构MEK抑制剂：针对XL518（GDC-0973）的发现与优化研究》，ACS Medicinal Chemistry Letters, 3, 2012