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Structure paper

TitleStructural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
Journal, issue, pagesJ. Biol. Chem., Vol. 299, Page 102959-102959, Year 2023
Publish dateSep 12, 2022 (structure data deposition date)
AuthorsLiu, S. / Kormos, B.L. / Knafels, J.D. / Sahasrabudhe, P.V. / Rosado, A. / Sommese, R.F. / Reyes, A.R. / Ward, J. / Roth Flach, R.J. / Wang, X. ...Liu, S. / Kormos, B.L. / Knafels, J.D. / Sahasrabudhe, P.V. / Rosado, A. / Sommese, R.F. / Reyes, A.R. / Ward, J. / Roth Flach, R.J. / Wang, X. / Buzon, L.M. / Reese, M.R. / Bhattacharya, S.K. / Omoto, K. / Filipski, K.J.
External linksJ. Biol. Chem. / PubMed:36717078
MethodsX-ray diffraction
Resolution1.85 - 2.047 Å
Structure data

PDB-8egd:
Branched chain ketoacid dehydrogenase kinase in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.047 Å

PDB-8egf:
Branched chain ketoacid dehydrogenase kinase in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-8egq:
Branched chain ketoacid dehydrogenase kinase complexes
Method: X-RAY DIFFRACTION / Resolution: 1.955 Å

PDB-8egu:
Branched chain ketoacid dehydrogenase kinase complexes
Method: X-RAY DIFFRACTION / Resolution: 1.923 Å

Chemicals

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-MG:
Unknown entry

ChemComp-K:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-WIH:
5-(4-methoxyphenyl)-1H-tetrazole

ChemComp-HOH:
WATER

ChemComp-WIK:
(5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole

ChemComp-WJK:
(2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

ChemComp-U35:
(2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid

Source
  • rattus norvegicus (Norway rat)
KeywordsSIGNALING PROTEIN / Branched-chain ketoacid dehydrogenase / Branched-chain ketoacid dehydrogenase kinase / inhibitors / angiotensin receptor blocker / complex / TRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE-TRANSFERASE INHIBITOR complex

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