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TitleDesign, synthesis, and structural analysis of an inhibitor of the gastric proton pump with a diaza-tricyclic skeleton.
Journal, issue, pagesOrg Biomol Chem, Vol. 24, Issue 5, Page 1000-1005, Year 2026
Publish dateFeb 4, 2026
AuthorsNariyoshi Umekubo / Airi Hashizume / Haruki Saito / Satoru Kato / Chisato Kanai / Chai C Gopalasingam / Christoph Gerle / Hideki Shigematsu / Atsushi Yoshimori / Kazuhiro Abe / Satoshi Yokoshima /
PubMed AbstractThe development of potent K-competitive acid blockers (P-CABs) as inhibitors of acid gastric secretion attracts much research attention. In this study, the structure-guided design and ...The development of potent K-competitive acid blockers (P-CABs) as inhibitors of acid gastric secretion attracts much research attention. In this study, the structure-guided design and enantioselective synthesis of P-CABs yielded a diaza-tricyclic compound with moderate inhibitory activity against the gastric proton pump. The eutomer was experimentally confirmed, consistent with pharmacophore predictions, and its binding mode to the gastric proton pump was elucidated cryo-electron microscopy.
External linksOrg Biomol Chem / PubMed:41536160
MethodsEM (single particle)
Resolution2.66 Å
Structure data

65385

9vvo

EMDB-65385, PDB-9vvo:
cryo-EM structure of gastric proton pump bound to YK01
Method: EM (single particle) / Resolution: 2.66 Å

Chemicals

ChemComp-PCW:
1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE / DOPC, phospholipid*YM

ChemComp-MG:
Unknown entry

PDB-1ma7:
Crystal structure of Cre site-specific recombinase complexed with a mutant DNA substrate, LoxP-A8/T27

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-CLR:
CHOLESTEROL

ChemComp-HOH:
WATER

Source
  • sus scrofa (pig)
KeywordsMEMBRANE PROTEIN / P-type ATPase / transporters / gastric / P-CABs / proton pump

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