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Structure paper

TitleStructure-based Optimization of Potent, Cell-Active Hydroxylactam Inhibitors of Lactate Dehydrogenase
Journal, issue, pagesTo Be Published
Publish dateOct 24, 2018 (structure data deposition date)
AuthorsWei, B. / Robarge, K. / Labadie, S.S. / Chen, J. / Corson, L.B. / DiPasquale, A. / Eigenbrot, C. / Ultsch, M.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.95 - 2.02 Å
Structure data

PDB-6mv8:
LDHA structure in complex with inhibitor 14
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-6mva:
LDHA structure in complex with inhibitor 14
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

Chemicals

ChemComp-NAI:
1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-SO4:
SULFATE ION

ChemComp-D3S:
(6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one

ChemComp-LAC:
LACTIC ACID

ChemComp-HOH:
WATER

ChemComp-D4S:
(6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / LDHA / inhibitor / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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