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Structure paper

TitleInhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 29, Page 2503-2510, Year 2019
Publish dateJun 30, 2019 (structure data deposition date)
AuthorsMullarky, E. / Xu, J. / Robin, A.D. / Huggins, D.J. / Jennings, A. / Noguchi, N. / Olland, A. / Lakshminarasimhan, D. / Miller, M. / Tomita, D. ...Mullarky, E. / Xu, J. / Robin, A.D. / Huggins, D.J. / Jennings, A. / Noguchi, N. / Olland, A. / Lakshminarasimhan, D. / Miller, M. / Tomita, D. / Michino, M. / Su, T. / Zhang, G. / Stamford, A.W. / Meinke, P.T. / Kargman, S. / Cantley, L.C.
External linksBioorg. Med. Chem. Lett. / PubMed:31327531
MethodsX-ray diffraction
Resolution1.7 - 2.93 Å
Structure data

PDB-6plf:
Crystal structure of human PHGDH complexed with Compound 1
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-6plg:
Crystal structure of human PHGDH complexed with Compound 15
Method: X-RAY DIFFRACTION / Resolution: 2.93 Å

Chemicals

ChemComp-ONV:
4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-ONS:
(2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid

ChemComp-MLT:
D-MALATE

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/INHIBITOR / DEHYDROGENASE / SERINE METABOLISM / OXIDOREDUCTASE / OXIDOREDUCTASE-INHIBITOR complex

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