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TitleBeyond Traditional Structure-Based Drug Design: The Role of Iron Complexation, Strain, and Water in the Binding of Inhibitors for Hypoxia-Inducible Factor Prolyl Hydroxylase 2.
Journal, issue, pagesAcs Omega, Vol. 4, Page 6703-6708, Year 2019
Publish dateJan 11, 2019 (structure data deposition date)
AuthorsBembenek, S.D. / Venkatesan, H. / Peltier, H.M. / Rosen, M.D. / Barrett, T.D. / Kanelakis, K.C. / Palomino, H.L. / Brondstetter, T.I. / Mirzadegan, T. / Rabinowitz, M.H.
External linksAcs Omega / PubMed:31179408
MethodsX-ray diffraction
Resolution1.58 Å
Structure data

PDB-6nmq:
Hypoxia-Inducible Factor (HIF) Prolyl Hydroxylase 2 (PHD2) in Complex with the Carboxamide Analog JNJ43058171
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

Chemicals

ChemComp-FE2:
Unknown entry

ChemComp-KU1:
N-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / PHD2 / hypoxia-inducible factor prolyl hydroxylase / iron-containing enzyme / cinnoline

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