大多数BCL-2家族蛋白还含有一个疏水的c端螺旋(α9,这里没有显示,因为它不存在于用于解决该结构的结构中),参与膜靶向。 b,疏水沟是与其他家族成员相互作用的位点,在这种情况下,bcl -2相互作用的细胞死亡介质(BIM)的BH3结构域(绿色)与MCL1结合(红色)(PDB入口2NL9)。相互作用主要是通过相互作用BH3一侧的四个...
这表明取代抑制剂在1位点末端有可能增强对Bcl-2的结合亲和力,而不影响对Bcl-xL的亲和力。 图6. (a)80与Bcl-xL结合的NMR结构。Ala104、Leu108和Ser122用黄色高亮(PDB:2O1Y)。(b)80与Bcl-2结合的NMR结构。Asp104、Met108和Arg122用黄色高亮(PDB:2o21)。部分图片来源:J. Med. Chem. 2007, 50, 641-...
这些结果表明753b是一种有效的BCL-xL/2双降解剂。AlphaLISA分析显示,753b与BCL-xL/2形成的三元复合物比753a和DT2216更强。此外,细胞NanoBRET三元复合物形成测定证实,相对于753a,753b显示出更高的诱导与BCL-xL和BCL-2形成三元复合物的活性。 ABT263中753a(R1)和753b(R2)的相应链接甲基在X射线晶体结构(PDB4QN...
To identify proteins with similar binding features, a structure-based pharmacophore model was generated based on the structure of Bcl-2 complexed with Venetoclax (PDB-ID:6O0K). Compounds with good fitness score and pharmacophore features, screened from the ZINC database, were subjected to (i) ...
Figure 2 Interaction of BCL-2 family members. (a) The canonical BH3/surface groove interaction in the family. Structure of BCL-XL(blue surface representation) bound to the amphipathic helical BH3 peptide of BIM (a yellow ribbon indicates its helical structure)27(PDB/3FDL), with its N termi...
1、 在http://www.rcsb.org/pdb/home/home.do查到相关的东西 2、然后查看各自的简要介绍，根据结构...
coli. A docking study reveals that the phytochemical 1-(5-Hydroxy-6-hydroxymethyl-tetrahydropyran-2-yl)-5-methyl-1H-pyrimidine-24-dione achieves the highest score against targets PDGFRA (PDB ID 6JOL) and Beta-ketoacyl synthase 1(PDB ID 1FJ4), which further molecular dynamics simulation ...
Binding of human BCL2A1 (in red) to BIM (left, PDB: 2VM6) and BAK (right, PDB: 3I1H) BH3- peptides was illustrated in Pymol (Schrodinger Inc., Portland, OR, USA). The residues of the BH3-peptides (blue) directly interacting with the hydrophobic pockets of BCL2A1 are ...
同时，对Bcl-2家族成员的深入研究，也为研发抗癌新药提供靶点。1 Bcl-2家族成员和细胞凋亡 Bcl-2家族蛋白包括促存活蛋白（抗凋亡蛋白）和促凋亡蛋白，它们分别抑制或促进生物体内的细胞凋亡。促存活蛋白包括5个成员：Bcl-2，Bcl-xl，Bcl-w，Mcl-1(髓细胞白血病序列1)和A1/Bfl-1，这些蛋白具有4个Bcl-2同源的BH...
J3 binds across two adjacent protomers, higher on the trimer apex than CD4bs slightly, but with significant overlap and equivalent total contact surface. (C) Superposition from the J3 complicated with Compact disc4 (PDB: 2NY1) and VRC01 (PDB: 5FYJ) complexes, by aligning the gp120 dom...