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Structure paper

TitleBeyond structure and activity: targeting class A carbapenemases with monocyclic and bicyclic boronic acids to counter antimicrobial resistance.
Journal, issue, pagesOrg. Biomol. Chem., Year 2025
Publish dateAug 6, 2025 (structure data deposition date)
AuthorsDhankhar, K. / Hazra, M. / Nair, A.S.R. / Alhmeidi Alkhatib, A.E. / Mishra, N.C. / Hazra, S.
External linksOrg. Biomol. Chem. / PubMed:41217385
MethodsX-ray diffraction
Resolution1.93 - 2.2 Å
Structure data

PDB-9w7n:
Crystal Structure of Vaborbactam in complex with SME-1 class A Carbapenemase
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-9w7o:
Crystal Structure of Taniborbactam in complex with SME-1 class A Carbapenemase
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-9w7p:
Crystal Structure of Ledaborbactam in complex with SME-1 class A Carbapenemase
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-4D6:
Vaborbactam / antibiotic, inhibitor*YM

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-KJK:
(3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid

PDB-1mbd:
X-ray structure of sperm whale deoxymoglobin refined at 1.4A resolution

ChemComp-CL:
Unknown entry

Source
  • serratia marcescens (bacteria)
KeywordsHYDROLASE / Boronic acid / Transition state analogue / Inhibitor / Boronic acid based transition state analogue (Batsa) / Acyl Enzyme Complex / Carbapenemase / BATSA

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