タイトル | Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation. |
---|
ジャーナル・号・ページ | J. Med. Chem., Vol. 60, Page 7820-7834, Year 2017 |
---|
掲載日 | 2016年12月3日 (構造データの登録日) |
---|
著者 | Smith, T.P. / Windsor, I.W. / Forest, K.T. / Raines, R.T. |
---|
リンク | J. Med. Chem. / PubMed:28920684 |
---|
手法 | X線回折 |
---|
解像度 | 1.448 - 2.22 Å |
---|
構造データ | PDB-5u48: Wild-type Transthyretin in complex with 5-[(1E)-2-(4-Boronic acid)ethenyl]-1,3-benzenediol 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-5u49: Wild-type Transthyretin in complex with 5-[(1E)-2-(2-Chloro-4-hydroxyphenyl)ethenyl]-1,3-benzenediol 手法: X-RAY DIFFRACTION / 解像度: 2.22 Å PDB-5u4a: Wild-type Transthyretin in complex with 5-[(1E)-2-(2-Chloro-4-boronic acid)ethenyl]-1,3-benzenediol 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-5u4b: Wild-type Transthyretin in complex with 3-[(1E)-2-(4-Hydroxyphenyl)ethenyl]benzoic Acid 手法: X-RAY DIFFRACTION / 解像度: 1.448 Å PDB-5u4c: Wild-type Transthyretin in complex with 3-[(1E)-2-(4-Boronic acid)ethenyl]benzoic Acid 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-5u4d: Wild-type Transthyretin in complex with 3-[(1E)-2-(2-Chloro-4-hydroxyphenyl)ethenyl]benzoic Acid 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-5u4e: Wild-type Transthyretin in complex with 3-[(1E)-2-(2-Chloro-4-boronic acid)ethenyl]benzoic Acid 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-5u4f: Wild-type Transthyretin in complex with 1,1'-(1E)-(1,2-Ethenediyl)bis[2-chloro-4-boronic acid]benzene 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-5u4g: Wild-type Transthyretin in complex with 2-Boronic Acid-1-[(1E)-2-(3-boronic acid)ethenyl]-4-chlorobenzene 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å |
---|
化合物 | ChemComp-S4B: {4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid
ChemComp-S2L: 5-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol
ChemComp-7VG: {3-chloro-4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid
ChemComp-XOS: 3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid
ChemComp-XBS: 3-[(E)-2-(4-boronophenyl)ethenyl]benzoic acid
ChemComp-XLO: 3-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzoic acid
ChemComp-XLB: 3-[(E)-2-(4-borono-2-chlorophenyl)ethenyl]benzoic acid
ChemComp-IWW: [(E)-ethene-1,2-diylbis(3-chloro-4,1-phenylene)]diboronic acid
ChemComp-7UV: (3-{(E)-2-[2-chloro-4-(hydroxyboranyl)phenyl]ethenyl}phenyl)boronic acid
|
---|
由来 | homo sapiens (ヒト)
|
---|
キーワード | TRANSPORT PROTEIN / Boronic acids / Medicinal chemistry / stilbene / covalent ligand / Boronic acid / covalent inhibitor |
---|