3MQE
Structure of SC-75416 bound at the COX-2 active site
Summary for 3MQE
Entry DOI | 10.2210/pdb3mqe/pdb |
Related | 1PXX 3LN1 |
Related PRD ID | PRD_900017 |
Descriptor | Prostaglandin G/H synthase 2, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... (7 entities in total) |
Functional Keywords | cox2, cox-2, pgh2s-2, cyclooxygenase-2, dioxygenase, disulfide bond, endoplasmic reticulum, fatty acid biosynthesis, glycoprotein, heme, iron, lipid synthesis, membrane, metal-binding, microsome, oxidoreductase, peroxidase, phosphoprotein, prostaglandin biosynthesis |
Biological source | Mus musculus (mouse) |
Total number of polymer chains | 4 |
Total formula weight | 278000.44 |
Authors | Wang, J.L.,Limburg, D.,Graneto, M.J.,Springer, J.,Rogier, J.,Kiefer, J.R. (deposition date: 2010-04-28, release date: 2010-10-27, Last modification date: 2020-07-29) |
Primary citation | Wang, J.L.,Limburg, D.,Graneto, M.J.,Springer, J.,Hamper, J.R.,Liao, S.,Pawlitz, J.L.,Kurumbail, R.G.,Maziasz, T.,Talley, J.J.,Kiefer, J.R.,Carter, J. The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life. Bioorg.Med.Chem.Lett., 20:7159-7163, 2010 Cited by PubMed: 20709553DOI: 10.1016/j.bmcl.2010.07.054 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.8 Å) |
Structure validation
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