3KEC
Crystal Structure of Human MMP-13 complexed with a phenyl-2H-tetrazole compound
3KEC の概要
エントリーDOI | 10.2210/pdb3kec/pdb |
関連するPDBエントリー | 3KEJ 3KEK |
分子名称 | Collagenase 3, ZINC ION, CALCIUM ION, ... (7 entities in total) |
機能のキーワード | 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 |
由来する生物種 | Homo sapiens (human) |
細胞内の位置 | Secreted, extracellular space, extracellular matrix : P45452 |
タンパク質・核酸の鎖数 | 2 |
化学式量合計 | 39291.20 |
構造登録者 | Shieh, H.-S.,Pavlovsky, A.G.,Collins, B.,Schnute, M.E. (登録日: 2009-10-25, 公開日: 2010-11-10, 最終更新日: 2024-02-21) |
主引用文献 | 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 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.05 Å) |
構造検証レポート
検証レポート(詳細版)をダウンロード