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Structure paper

TitleNovel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 9837-, Year 2013
Publish dateJun 19, 2013 (structure data deposition date)
AuthorsBligt-Linden, E. / Pihlavisto, M. / Szatmari, I. / Otwinowski, Z. / Smith, D.J. / Lazar, L. / Fulop, F. / Salminen, T.A.
External linksJ. Med. Chem. / PubMed:24304424
MethodsX-ray diffraction
Resolution2.78 - 3.1 Å
Structure data

PDB-4btw:
Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-4btx:
Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.78 Å

PDB-4bty:
Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

Chemicals

ChemComp-CU:
COPPER (II) ION

ChemComp-CA:
Unknown entry

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

ChemComp-JW7:
5-(cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone

ChemComp-HOH:
WATER

ChemComp-WF8:
5-isopropylamino-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone

ChemComp-MAN:
alpha-D-mannopyranose

ChemComp-JWF:
5-[4-(4-methylpiperazin-1-yl)phenylamino]-2-(4-chlorophenyl)-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE

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