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; PubMed: 20005097; DOI: 10.1016/j.bmcl.2009.11.081

Experimental method

X-RAY DIFFRACTION (2.3 Å)