Structure of MBP-Mcl-1 in complex with compound 18a

Structure of MBP-Mcl-1 in complex with compound 18a Descriptor: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose Authors: Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. Deposit date: 2019-03-09 Release date: 2019-08-07 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019

复合物MBP-Mcl-1与化合物18a的结构 描述项：(2R)-2-[5-[3-氯-2-甲基-4-[2-(4-甲基哌嗪-1-基)乙氧基]苯基]-6-乙基-噻吩并[2,3-d]嘧啶-4-基]氧基-3-苯基丙酸、麦芽糖/麦芽糖结合周质蛋白（Maltose/maltodextrin-binding periplasmic protein）、诱导髓系白血病细胞分化蛋白Mcl-1（Induced myeloid leukemia cell differentiation protein Mcl-1）、α-D-吡喃葡萄糖-(1→4)-α-D-吡喃葡萄糖。作者：Dokurno, P、Szlavik, Z、Ondi, L、Csekei, M、Paczal, A、Szabo, Z.B、Radics, G、Murray, J、Davidson, J、Chen, I、Davis, B、Hubbard, R.E、Pedder, C、Surgenor, A.E、Smith, J、Robertson, A、LeToumelin-Braizat, G、Cauquil, N、Zarka, M、Demarles, D、Perron-Sierra, F、Geneste, O、Kotschy, A。数据存放日期：2019-03-09；发布日期：2019-08-07；最后修改日期：2024-01-24。解析方法：X射线衍射（X-RAY DIFFRACTION），分辨率为2.1埃（2.1 Å）。引用文献：《结构导向发现具有细胞活性的选择性Mcl-1抑制剂》（Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity），《J.Med.Chem.》，2019年，第62卷。