EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Structural basis of PANX1 permeation and positive modulation by mefloquine.
ジャーナル・号・ページ	Nat Commun, Vol. 16, Issue 1, Page 11057, Year 2025
掲載日	2025年12月11日
著者	Yangyang Li / Zheng Ruan / Junuk Lee / Ian J Orozco / Edward Zhou / Juan Du / Wei Lü /
PubMed 要旨	Purinergic signaling relies on ATP release through exocytosis and large-pore channels. Large-pore channels permeate both small anions like chloride and large signaling molecules like ATP, but how ...Purinergic signaling relies on ATP release through exocytosis and large-pore channels. Large-pore channels permeate both small anions like chloride and large signaling molecules like ATP, but how this broad cargo selectivity is structurally controlled remains elusive. Here we investigate PANX1, a prototypical large-pore channel, and uncover structural plasticity at the extracellular entrance formed by seven tryptophan (W74) residues. The W74 sidechains are flexible, sampling conformations that range from a constricted state permissive only to chloride to a dilated state compatible with ATP. These states are coupled to variable cation-π interactions between W74 and arginine 75 (R75), suggesting a mechanism for dynamic tuning of pore architecture and selective cargo permeation. We also identify mefloquine as a positive modulator of PANX1 that binds near the side tunnel to control ion flow through this pathway. Together, these findings define the structural principles underlying PANX1 permeation and modulation.
リンク	Nat Commun / PubMed:41381453 / PubMed Central
手法	EM (単粒子)
解像度	2.5 - 3.45 Å
構造データ	70760 9oqg EMDB-70760, PDB-9oqg: Human pannexin 1 channel with 0 mM ATP 手法: EM (単粒子) / 解像度: 2.58 Å 70761 9oqh EMDB-70761, PDB-9oqh: Human pannexin 1 channel with 10 mM ATP 手法: EM (単粒子) / 解像度: 2.58 Å 70762 9oqi EMDB-70762, PDB-9oqi: Human pannexin 1 channel with 20 mM ATP 手法: EM (単粒子) / 解像度: 2.66 Å 70763 9oqj EMDB-70763, PDB-9oqj: Human pannexin 1 channel with 30 mM ATP 手法: EM (単粒子) / 解像度: 2.66 Å 70764 9oqk EMDB-70764, PDB-9oqk: Human pannexin 1 channel from combined 0, 10, 20, 30 mM ATP datasets 手法: EM (単粒子) / 解像度: 2.5 Å 70765 9oql EMDB-70765, PDB-9oql: Putative ATP-bound class from combined 10, 20, 30 mM ATP datasets 手法: EM (単粒子) / 解像度: 2.77 Å 70766 9oqm EMDB-70766, PDB-9oqm: Apo class from combined 0, 10, 20, 30 mM ATP datastes 手法: EM (単粒子) / 解像度: 2.8 Å 70767 9oqn EMDB-70767, PDB-9oqn: Constricted-pore class from combined 0, 10, 20, 30 mM ATP datasets 手法: EM (単粒子) / 解像度: 3.19 Å 70768 9oqo EMDB-70768, PDB-9oqo: Dilated-pore class from combined 0, 10, 20, 30 mM ATP datasets 手法: EM (単粒子) / 解像度: 3.45 Å 70769 9oqp EMDB-70769, PDB-9oqp: Human pannexin 1 channel with 1mM mefloquine 手法: EM (単粒子) / 解像度: 2.62 Å 70770 9oqq EMDB-70770, PDB-9oqq: Human pannexin 1 channel W74A mutant with 10mM ATP 手法: EM (単粒子) / 解像度: 3.25 Å
化合物	ChemComp-PTY: PHOSPHATIDYLETHANOLAMINE / リン脂質YM ChemComp-CLR: CHOLESTEROL ChemComp-NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose ChemComp-ATP: ADENOSINE-5'-TRIPHOSPHATE / ATP, エネルギー貯蔵分子YM PDB-1a1v: HEPATITIS C VIRUS NS3 HELICASE DOMAIN COMPLEXED WITH SINGLE STRANDED SDNA
由来	homo sapiens (ヒト) Human respiratory syncytial virus (ウイルス)
キーワード	TRANSPORT PROTEIN / Pannexin 1 / ATP release / large-pore ion channel / membrane protein / Pannexin 1 channel with mefloquine / PANX1 / Pannexin / Large pore channel