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TitleCharacterization of CHK-336, A First-in-Class, Liver-Targeted, Small-Molecule Lactate Dehydrogenase Inhibitor for Hyperoxaluria Treatment.
Journal, issue, pagesJ Am Soc Nephrol, Vol. 36, Page 1535-1547, Year 2025
Publish dateMar 17, 2021 (structure data deposition date)
AuthorsCox, J.H. / Boily, M.O. / Caron, A. / Sheng, T. / Wu, J. / Ding, J. / Gaudreault, S. / Chong, O. / Surendradoss, J. / Gomez, R. ...Cox, J.H. / Boily, M.O. / Caron, A. / Sheng, T. / Wu, J. / Ding, J. / Gaudreault, S. / Chong, O. / Surendradoss, J. / Gomez, R. / Lester, J. / Dumais, V. / Li, X. / Gumpena, R. / Hall, M.D. / Waterson, A.G. / Stott, G. / Flint, A.J. / Moore, W.J. / Lowther, W.T. / Knight, J. / Percival, M.D. / Tong, V. / Oballa, R. / Powell, D.A. / King, A.J.
External linksJ Am Soc Nephrol / PubMed:40193200
MethodsX-ray diffraction
Resolution2.34 - 2.5 Å
Structure data

PDB-7m2n:
Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-8fw6:
Human Lactate Dehydrogenase A in Complex with Inhibitor CHK-336
Method: X-RAY DIFFRACTION / Resolution: 2.34 Å

Chemicals

ChemComp-NAI:
1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-YOJ:
5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid

ChemComp-HOH:
WATER

ChemComp-YBO:
(2P)-2-{5-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / LDHA hLDHA Human Lactate dehydrogenase A

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