3NTG

Crystal structure of COX-2 with selective compound 23d-(R)

Summary for 3NTG

Entry DOI	10.2210/pdb3ntg/pdb
Related	1PXX 3LN0 3LN1 3MQE 3PGH
Descriptor	Prostaglandin G/H synthase 2, 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	261163.46
Authors	Wang, J.L.,Limburg, D.,Graneto, M.J.,Carter, J.C.,Talley, J.J.,Kiefer, J.R. (deposition date: 2010-07-04, release date: 2010-10-27, Last modification date: 2023-12-27)
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: 20709553 DOI: 10.1016/j.bmcl.2010.07.054 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.19 Å)

Structure validation