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Structure paper

TitleCrystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry.
Journal, issue, pagesBiochemistry, Vol. 55, Page 1226-1238, Year 2016
Publish dateNov 30, 2015 (structure data deposition date)
AuthorsLucido, M.J. / Orlando, B.J. / Vecchio, A.J. / Malkowski, M.G.
External linksBiochemistry / PubMed:26859324
MethodsX-ray diffraction
Resolution1.9 - 2.38 Å
Structure data

PDB-5f19:
The Crystal Structure of Aspirin Acetylated Human Cyclooxygenase-2
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

PDB-5f1a:
The Crystal Structure of Salicylate Bound to Human Cyclooxygenase-2
Method: X-RAY DIFFRACTION / Resolution: 2.38 Å

PDB-5fdq:
Murine COX-2 S530T mutant
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-COH:
PROTOPORPHYRIN IX CONTAINING CO

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

ChemComp-AKR:
ACRYLIC ACID

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-BOG:
octyl beta-D-glucopyranoside / detergent*YM

ChemComp-HOH:
WATER

ChemComp-SAL:
2-HYDROXYBENZOIC ACID

ChemComp-60A:
2-[(2~{R})-2-(hydroxymethyloxy)propoxy]ethanol

Source
  • homo sapiens (human)
  • mus musculus (house mouse)
KeywordsOXIDOREDUCTASE/INHIBITOR / Membrane protein / Cyclooxygenase / Cyxlooxygenase-2 / Monotopic / Aspirin / Complex / Covalent Inhibitor / OXIDOREDUCTASE-INHIBITOR complex / Cyclooxygenase-2 / COX / PGHS / Salicylic acid / Salicylate / Inhibitor / COX-2

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