3WV1

Crystal structure of the catalytic domain of MMP-13 complexed with 4-(2-((6-fluoro-2-((3-methoxybenzyl)carbamoyl)-4-oxo-3,4-dihydroquinazolin-5-yl)oxy)ethyl)benzoic acid

3WV1 の概要

• エントリーDOI: 10.2210/pdb3wv1/pdb
• 関連するPDBエントリー: 3WV2 3WV3
• 分子名称: Collagenase 3, ZINC ION, CALCIUM ION, ... (7 entities in total)
• 機能のキーワード: mmp-13, hydrolase, 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: 40013.68

構造登録者

Oki, H.,Tanaka, Y. (登録日: 2014-05-12, 公開日: 2015-05-20, 最終更新日: 2024-03-20)

• 主引用文献: Nara, H.,Sato, K.,Naito, T.,Mototani, H.,Oki, H.,Yamamoto, Y.,Kuno, H.,Santou, T.,Kanzaki, N.,Terauchi, J.,Uchikawa, O.,Kori, M.; Discovery of novel, highly potent, and selective quinazoline-2-carboxamide-based matrix metalloproteinase (MMP)-13 inhibitors without a zinc binding group using a structure-based design approach; J.Med.Chem., 57:8886-8902, 2014; PubMed: 25264600; DOI: 10.1021/jm500981k

実験手法

X-RAY DIFFRACTION (1.98 Å)