Human Erk2 with an Erk1/2 inhibitor

Human Erk2 with an Erk1/2 inhibitor Descriptor: 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one, Mitogen-activated protein kinase 1, SULFATE ION Authors: Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. Deposit date: 2017-03-22 Release date: 2017-04-19 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017

本数据集对应结合ERK1/2抑制剂的人源ERK2，其抑制剂分子描述符为：7-[2-(四氢-2H-吡喃-4-基氨基)嘧啶-4-基]-3,4-二氢-2H-吡咯并[1,2-a]吡嗪-1-酮，作用靶点为丝裂原活化蛋白激酶1（Mitogen-activated protein kinase 1），复合物体系中含有硫酸根离子。作者：Debreczeni, J.E、Ward, R.A、Bethel, P、Cook, C、Davies, E、Eckersley, K、Fairley, G、Feron, L、Flemington, V、Graham, M.A、Greenwood, R、Hopcroft, P、Howard, T.D、Hudson, J、James, M、Jones, C.D、Jones, C.R、Lamont, S、Lewis, R、Lindsay, N、Roberts, K、Simpson, I、StGallay, S、Swallow, S、Tonge, M。提交日期：2017年3月22日；发布日期：2017年4月19日；最后修改日期：2024年5月8日。检测方法：X射线衍射（分辨率2 Å）。引用文献：《基于结构导向策略发现源自弱活性与非选择性化学起始点的强效选择性ERK1/2抑制剂》，J. Med. Chem.，2017年，第60卷。