タイトル | Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors. |
---|
ジャーナル・号・ページ | J. Med. Chem., Vol. 60, Page 5816-5825, Year 2017 |
---|
掲載日 | 2017年2月21日 (構造データの登録日) |
---|
著者 | Choi, J.Y. / Fuerst, R. / Knapinska, A.M. / Taylor, A.B. / Smith, L. / Cao, X. / Hart, P.J. / Fields, G.B. / Roush, W.R. |
---|
リンク | J. Med. Chem. / PubMed:28653849 |
---|
手法 | X線回折 |
---|
解像度 | 1.6 - 3.2 Å |
---|
構造データ | PDB-5uwk: Matrix metalloproteinase-13 complexed with selective inhibitor compound (S)-10a 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-5uwl: Matrix metalloproteinase-13 complexed with selective inhibitor compound (S)-17a 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å PDB-5uwm: Matrix metalloproteinase-13 complexed with selective inhibitor compound (R)-17a 手法: X-RAY DIFFRACTION / 解像度: 1.62 Å PDB-5uwn: Matrix metalloproteinase-13 complexed with selective inhibitor compound 10d 手法: X-RAY DIFFRACTION / 解像度: 3.2 Å |
---|
化合物 | ChemComp-8OM: (S)-3-methyl-2-(4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-ylsulfonamido)butanoic acid
ChemComp-8OJ: (S)-N-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide
ChemComp-8OA: (R)-N-(3-methyl-1-(methylamino)-1-oxobutan-2-yl)-5-(4-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)phenyl)furan-2-carboxamide
ChemComp-8O7: N-(2-aminoethyl)-4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-sulfonami
|
---|
由来 | homo sapiens (ヒト)
|
---|
キーワード | hydrolase/hydrolase inhibitor / Metalloproteinase / collagenase / MMP-13 / hydrolase / hydrolase-hydrolase inhibitor complex |
---|