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TitleIn silicoand crystallographic studies identify key structural features of biliverdin IX beta reductase inhibitors having nanomolar potency.
Journal, issue, pagesJ. Biol. Chem., Vol. 293, Page 5431-5446, Year 2018
Publish dateAug 7, 2017 (structure data deposition date)
AuthorsNesbitt, N.M. / Zheng, X. / Li, Z. / Manso, J.A. / Yen, W.Y. / Malone, L.E. / Ripoll-Rozada, J. / Pereira, P.J.B. / Mantle, T.J. / Wang, J. / Bahou, W.F.
External linksJ. Biol. Chem. / PubMed:29487133
MethodsX-ray diffraction
Resolution1.2 - 1.33 Å
Structure data

PDB-5oog:
Human biliverdin IX beta reductase: NADP/Phloxine B ternary complex
Method: X-RAY DIFFRACTION / Resolution: 1.33 Å

PDB-5ooh:
Human biliverdin IX beta reductase: NADP/Erythrosin extra bluish ternary complex
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

Chemicals

ChemComp-A0B:
Phloxine B

ChemComp-GOL:
GLYCEROL

ChemComp-PO4:
PHOSPHATE ION

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-HOH:
WATER

ChemComp-9ZZ:
Erythrosin

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Biliverdin reductase

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