4YES

Thrombin in complex with (S)-(4-chloro-2-((1-(5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxamido)methyl)phenyl)methanaminium

4YES の概要

• エントリーDOI: 10.2210/pdb4yes/pdb
• 関連するBIRD辞書のPRD_ID: PRD_002146
• 分子名称: Thrombin light chain, Thrombin heavy chain, Hirudin, ... (8 entities in total)
• 機能のキーワード: sulfo-hirudin, inhibitor, complex, thrombin, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human); 詳細
• 細胞内の位置: Secreted, extracellular space: P00734 P00734; Secreted: P01050
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 36163.84

構造登録者

Orth, P. (登録日: 2015-02-24, 公開日: 2015-06-17, 最終更新日: 2023-11-15)

• 主引用文献: Chobanian, H.R.,Pio, B.,Guo, Y.,Shen, H.,Huffman, M.A.,Madeira, M.,Salituro, G.,Terebetski, J.L.,Ormes, J.,Jochnowitz, N.,Hoos, L.,Zhou, Y.,Lewis, D.,Hawes, B.,Mitnaul, L.,O'Neill, K.,Ellsworth, K.,Wang, L.,Biftu, T.,Duffy, J.L.; Improved Stability of Proline-Derived Direct Thrombin Inhibitors through Hydroxyl to Heterocycle Replacement.; Acs Med.Chem.Lett., 6:553-557, 2015; PubMed: 26005532; DOI: 10.1021/acsmedchemlett.5b00047

実験手法

X-RAY DIFFRACTION (1.5 Å)