タイトル | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. |
---|
ジャーナル・号・ページ | Acs Chem. Biol., Vol. 11, Page 2693-2705, Year 2016 |
---|
掲載日 | 2016年7月14日 (構造データの登録日) |
---|
著者 | Cousido-Siah, A. / Ruiz, F.X. / Fanfrlik, J. / Gimenez-Dejoz, J. / Mitschler, A. / Kamlar, M. / Vesely, J. / Ajani, H. / Pares, X. / Farres, J. ...Cousido-Siah, A. / Ruiz, F.X. / Fanfrlik, J. / Gimenez-Dejoz, J. / Mitschler, A. / Kamlar, M. / Vesely, J. / Ajani, H. / Pares, X. / Farres, J. / Hobza, P. / Podjarny, A.D. |
---|
リンク | Acs Chem. Biol. / PubMed:27359042 |
---|
手法 | X線回折 |
---|
解像度 | 1.75 - 2.05 Å |
---|
構造データ | PDB-5lik: Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK181 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-5liu: Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor IDD388 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-5liw: Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK319 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-5lix: Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK184 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-5liy: Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK204 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å |
---|
化合物 | ChemComp-NAP: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / ニコチンアミドアデニンジヌクレオチドリン酸
ChemComp-W8X: {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
ChemComp-388: (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID / IDD-388
ChemComp-1WX: {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
ChemComp-MK4: {5-chloro-2-[(2,4,6-tribromobenzyl)carbamoyl]phenoxy}acetic acid
ChemComp-DQP: {5-chloro-2-[(pentabromobenzyl)carbamoyl]phenoxy}acetic acid
|
---|
由来 | - homo sapiens (ヒト)
|
---|
キーワード | OXIDOREDUCTASE (酸化還元酵素) / alpha-beta TIM barrel / cytosol (細胞質基質) / aldo-keto reductase / halogenated ligand |
---|