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	Substrate binding and inhibition of the anion exchanger 1 transporter.
ジャーナル・号・ページ	Nat Struct Mol Biol, Vol. 30, Issue 10, Page 1495-1504, Year 2023
掲載日	2023年9月7日
著者	Michael J Capper / Shifan Yang / Alexander C Stone / Sezen Vatansever / Gregory Zilberg / Yamuna Kalyani Mathiharan / Raul Habib / Keino Hutchinson / Yihan Zhao / Avner Schlessinger / Mihaly Mezei / Roman Osman / Bin Zhang / Daniel Wacker /
PubMed 要旨	Anion exchanger 1 (AE1), a member of the solute carrier (SLC) family, is the primary bicarbonate transporter in erythrocytes, regulating pH levels and CO transport between lungs and tissues. Previous ...Anion exchanger 1 (AE1), a member of the solute carrier (SLC) family, is the primary bicarbonate transporter in erythrocytes, regulating pH levels and CO transport between lungs and tissues. Previous studies characterized its role in erythrocyte structure and provided insight into transport regulation. However, key questions remain regarding substrate binding and transport, mechanisms of drug inhibition and modulation by membrane components. Here we present seven cryo-EM structures in apo, bicarbonate-bound and inhibitor-bound states. These, combined with uptake and computational studies, reveal important molecular features of substrate recognition and transport, and illuminate sterol binding sites, to elucidate distinct inhibitory mechanisms of research chemicals and prescription drugs. We further probe the substrate binding site via structure-based ligand screening, identifying an AE1 inhibitor. Together, our findings provide insight into mechanisms of solute carrier transport and inhibition.
リンク	Nat Struct Mol Biol / PubMed:37679563 / PubMed Central
手法	EM (単粒子)
解像度	2.95 - 3.37 Å
構造データ	26165 7ty4 EMDB-26165, PDB-7ty4: Cryo-EM structure of human Anion Exchanger 1 手法: EM (単粒子) / 解像度: 2.99 Å 26167 7ty6 EMDB-26167, PDB-7ty6: Cryo-EM structure of human Anion Exchanger 1 bound to 4,4'-Diisothiocyanatodihydrostilbene-2,2'-Disulfonic Acid (H2DIDS) 手法: EM (単粒子) / 解像度: 2.98 Å 26168 7ty7 EMDB-26168, PDB-7ty7: Cryo-EM structure of human Anion Exchanger 1 bound to Bicarbonate 手法: EM (単粒子) / 解像度: 3.37 Å 26169 7ty8 EMDB-26169, PDB-7ty8: Cryo-EM structure of human Anion Exchanger 1 bound to Niflumic Acid 手法: EM (単粒子) / 解像度: 3.18 Å 26171 7tya EMDB-26171, PDB-7tya: Cryo-EM structure of human Anion Exchanger 1 modified with Diethyl Pyrocarbonate (DEPC) 手法: EM (単粒子) / 解像度: 3.07 Å 41081 8t6u EMDB-41081, PDB-8t6u: Cryo-EM structure of human Anion Exchanger 1 bound to Dipyridamole 手法: EM (単粒子) / 解像度: 3.13 Å 41082 8t6v EMDB-41082, PDB-8t6v: Cryo-EM structure of human Anion Exchanger 1 bound to 4,4'-Diisothiocyanatostilbene-2,2'-Disulfonic Acid (DIDS) 手法: EM (単粒子) / 解像度: 2.95 Å
化合物	ChemComp-CLR: CHOLESTEROL / コレステロ-ル / コレステロール ChemComp-PC1: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE / リン脂質YM / ホスファチジルコリン ChemComp-Y01: CHOLESTEROL HEMISUCCINATE / コレステリルヘミスクシナ-ト ChemComp-HOH: WATER / 水 ChemComp-4DS: 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid / 2,2′-[(E)-エテン-1,2-ジイル]ビス(5-イソチオシアナトベンゼンスルホン酸) / 阻害剤YM / DIDS ChemComp-BCT: BICARBONATE ION / 炭酸水素アニオン / pH緩衝剤YM / 炭酸水素塩 ChemComp-NFL: 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID / ニフルム酸 / 阻害剤YM / Niflumic acid ChemComp-H9F: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol / ジピリダモ-ル / 薬剤, 阻害剤*YM / ジピリダモール
由来	homo sapiens (ヒト)
キーワード	TRANSPORT PROTEIN (運搬体タンパク質) / Transmembrane (膜貫通型タンパク質)