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Structure paper

TitlePotent Triazolopyridine Myeloperoxidase Inhibitors.
Journal, issue, pagesACS Med Chem Lett, Vol. 9, Page 1175-1180, Year 2018
Publish dateSep 26, 2018 (structure data deposition date)
AuthorsWurtz, N.R. / Viet, A. / Shaw, S.A. / Dilger, A. / Valente, M.N. / Khan, J.A. / Jusuf, S. / Narayanan, R. / Fernando, G. / Lo, F. ...Wurtz, N.R. / Viet, A. / Shaw, S.A. / Dilger, A. / Valente, M.N. / Khan, J.A. / Jusuf, S. / Narayanan, R. / Fernando, G. / Lo, F. / Liu, X. / Locke, G.A. / Kopcho, L. / Abell, L.M. / Sleph, P. / Basso, M. / Zhao, L. / Wexler, R.R. / Duclos, F. / Kick, E.K.
External linksACS Med Chem Lett / PubMed:30613322
MethodsX-ray diffraction
Resolution2.76 - 2.82 Å
Structure data

PDB-5qj2:
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) OMPLEX WITH COMPOUND-20 AKA 7-((3-(1-METHYL-1H-PYRAZOL-3- YL)BENZYL)OXY)- 1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE
Method: X-RAY DIFFRACTION / Resolution: 2.82 Å

PDB-5qj3:
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-24 AKA 7-({4-CHLORO-3'-FLUORO-[1,1'- BIPHENYL]-3-YL}METHOXY)-3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN- 5-AMINE
Method: X-RAY DIFFRACTION / Resolution: 2.76 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-FUC:
alpha-L-fucopyranose

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-BMA:
beta-D-mannopyranose

ChemComp-MAN:
alpha-D-mannopyranose

ChemComp-JXS:
7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

ChemComp-CA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-JXP:
7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

Source
  • homo sapiens (human)
KeywordsMETAL BINDING PROTEIN / MYELOPEROXIDASE

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