Khanra Nandish K, Wang Chongyuan, Delgado Bryce D, Long Stephen B
Structural Biology Program, Memorial Sloan Kettering Cancer Center, New York, NY 10065.
Graduate Program in Biochemistry and Structural Biology, Cell and Developmental Biology, and Molecular Biology, Weill Cornell Medicine Graduate School of Medical Sciences, New York, NY 10065.
Proc Natl Acad Sci U S A. 2025 May 13;122(19):e2425709122. doi: 10.1073/pnas.2425709122. Epub 2025 May 9.
The potassium channel TWIK-2 is crucial for ATP-induced activation of the NLRP3 inflammasome in macrophages. The channel is a member of the two-pore domain potassium (K2P) channel superfamily and an emerging therapeutic target to mitigate severe inflammatory injury involving NLRP3 activation. We report the cryo-EM structure of human TWIK-2. In comparison to other K2P channels, the structure reveals an unusual "up" conformation of Tyr111 in the selectivity filter and a resulting SF1-P1 pocket behind the filter. Density for acyl chains is present in fenestrations within the transmembrane region that connects the central cavity of the pore to the lipid membrane. Despite its importance as a drug target, limited pharmacological tools are available for TWIK-2. A previous study suggested that the FDA-approved small molecule pimozide might inhibit TWIK-2. Using a reconstituted system, we show that pimozide directly inhibits the channel and we determine a cryo-EM structure of a complex with the drug. Pimozide displaces the acyl chains within the fenestrations and binds below the selectivity filter where it would impede ion permeation. The drug may access its binding site by lateral diffusion in the membrane, suggesting that other hydrophobic small molecules could have utility for inhibiting TWIK-2. The work defines the structure of TWIK-2 and provides a structural foundation for development of more specific inhibitors with potential utility as anti-inflammatory drugs.
钾通道TWIK-2对于ATP诱导巨噬细胞中NLRP3炎性小体的激活至关重要。该通道是双孔结构域钾(K2P)通道超家族的成员,也是减轻涉及NLRP3激活的严重炎症损伤的新兴治疗靶点。我们报道了人类TWIK-2的冷冻电镜结构。与其他K2P通道相比,该结构揭示了选择性过滤器中Tyr111异常的“向上”构象以及过滤器后方形成的SF1-P1口袋。跨膜区域的小孔中有酰基链的密度,这些小孔将孔的中心腔与脂质膜相连。尽管TWIK-2作为药物靶点很重要,但针对它的药理学工具却很有限。先前的一项研究表明,FDA批准的小分子匹莫齐特可能抑制TWIK-2。我们使用重组系统表明匹莫齐特直接抑制该通道,并确定了与该药物复合物的冷冻电镜结构。匹莫齐特取代了小孔中的酰基链,并结合在选择性过滤器下方,在此处它会阻碍离子渗透。该药物可能通过在膜中的侧向扩散进入其结合位点,这表明其他疏水性小分子可能对抑制TWIK-2有用。这项工作确定了TWIK-2的结构,并为开发更具特异性的抑制剂提供了结构基础,这些抑制剂有可能作为抗炎药物发挥作用。