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Structure paper

TitleNovel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design.
Journal, issue, pagesJ. Med. Chem., Vol. 51, Page 2178-, Year 2008
Publish dateSep 26, 2007 (structure data deposition date)
AuthorsHohwy, M. / Spadola, L. / Lundquist, B. / Hawtin, P. / Dahmen, J. / Groth-Clausen, I. / Nilsson, E. / Persdotter, S. / Von Wachenfeldt, K. / Folmer, R.H.A. / Edman, K.
External linksJ. Med. Chem. / PubMed:18341273
MethodsX-ray diffraction
Resolution1.95 - 2.25 Å
Structure data

PDB-2vcq:
Complex structure of prostaglandin D2 synthase at 1.95A.
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-2vcw:
Complex structure of prostaglandin D2 synthase at 1.95A.
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-2vcx:
Complex structure of prostaglandin D2 synthase at 2.1A.
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2vcz:
Complex structure of prostaglandin D2 synthase at 1.95A.
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-2vd0:
Complex structure of prostaglandin D2 synthase at 2.2A.
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-2vd1:
Complex structure of prostaglandin D2 synthase at 2.25A.
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-GSH:
GLUTATHIONE

ChemComp-D25:
3-phenyl-5-(1H-pyrazol-3-yl)isoxazole

ChemComp-HOH:
WATER

ChemComp-ZZA:
1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID

ChemComp-MG:
Unknown entry

ChemComp-D26:
PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE

ChemComp-VC3:
3-(4-nitrophenyl)-1H-pyrazole

ChemComp-D27:
2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid

ChemComp-GOL:
GLYCEROL

ChemComp-D28:
4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid

Source
  • homo sapiens (human)
KeywordsISOMERASE / PROSTAGLANDIN BIOSYNTHESIS / FATTY ACID BIOSYNTHESIS / PROSTAGLANDIN D2 SYNTHASE / PGDS / ASTHMA / CYTOPLASM / LIPID SYNTHESIS

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