8FQQ
ADC-162 in complex with boronic acid transition state inhibitor MB076
8FQQ の概要
エントリーDOI | 10.2210/pdb8fqq/pdb |
分子名称 | Beta-lactamase, 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, PHOSPHATE ION, ... (5 entities in total) |
機能のキーワード | batsi, inhibitor, acinetobacter-derived cephalosporinase, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
由来する生物種 | Acinetobacter baumannii |
タンパク質・核酸の鎖数 | 2 |
化学式量合計 | 82468.22 |
構造登録者 | Powers, R.A.,Wallar, B.J.,June, C.M.,Fernando, M.C. (登録日: 2023-01-06, 公開日: 2023-07-05, 最終更新日: 2023-10-25) |
主引用文献 | Powers, R.A.,June, C.M.,Fernando, M.C.,Fish, E.R.,Maurer, O.L.,Baumann, R.M.,Beardsley, T.J.,Taracila, M.A.,Rudin, S.D.,Hujer, K.M.,Hujer, A.M.,Santi, N.,Villamil, V.,Introvigne, M.L.,Prati, F.,Caselli, E.,Bonomo, R.A.,Wallar, B.J. Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66:8510-8525, 2023 Cited by PubMed: 37358467DOI: 10.1021/acs.jmedchem.3c00144 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.48 Å) |
構造検証レポート
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