3KEJ
Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound
Summary for 3KEJ
Entry DOI | 10.2210/pdb3kej/pdb |
Related | 3KEC 3KEK |
Descriptor | Collagenase 3, ZINC ION, CALCIUM ION, ... (5 entities in total) |
Functional Keywords | s1' inhibitor, selective mmp-13 inhibitor, s1' specificity pocket, no contact to zn, collagen degradation, disease mutation, disulfide bond, extracellular matrix, glycoprotein, hydrolase, metal-binding, metalloprotease, protease, secreted, zymogen, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Secreted, extracellular space, extracellular matrix (Probable): P45452 |
Total number of polymer chains | 2 |
Total formula weight | 38926.84 |
Authors | Shieh, H.-S.,Collins, B.,Schnute, M.E. (deposition date: 2009-10-26, release date: 2010-11-10, Last modification date: 2024-02-21) |
Primary citation | Schnute, M.E.,O'Brien, P.M.,Nahra, J.,Morris, M.,Howard Roark, W.,Hanau, C.E.,Ruminski, P.G.,Scholten, J.A.,Fletcher, T.R.,Hamper, B.C.,Carroll, J.N.,Patt, W.C.,Shieh, H.S.,Collins, B.,Pavlovsky, A.G.,Palmquist, K.E.,Aston, K.W.,Hitchcock, J.,Rogers, M.D.,McDonald, J.,Johnson, A.R.,Munie, G.E.,Wittwer, A.J.,Man, C.F.,Settle, S.L.,Nemirovskiy, O.,Vickery, L.E.,Agawal, A.,Dyer, R.D.,Sunyer, T. Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. Bioorg.Med.Chem.Lett., 20:576-580, 2010 Cited by PubMed: 20005097DOI: 10.1016/j.bmcl.2009.11.081 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
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