1JWT

CRYSTAL STRUCTURE OF THROMBIN IN COMPLEX WITH A NOVEL BICYCLIC LACTAM INHIBITOR

1JWT の概要

• エントリーDOI: 10.2210/pdb1jwt/pdb
• 分子名称: Prothrombin, 4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE (2 entities in total)
• 機能のキーワード: hydrolase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Secreted, extracellular space: P00734
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35616.63

構造登録者

Levesque, S.,St-Denis, Y.,Bachand, B.,Preville, P.,Leblond, L.,Winocour, P.D.,Edmunds, J.J.,Rubin, J.R.,Siddiqui, M.A. (登録日: 2001-09-05, 公開日: 2002-02-27, 最終更新日: 2024-10-16)

主引用文献

Levesque, S.,St-Denis, Y.,Bachand, B.,Preville, P.,Leblond, L.,Winocour, P.D.,Edmunds, J.J.,Rubin, J.R.,Siddiqui, M.A.
Novel bicyclic lactam inhibitors of thrombin: potency and selectivity optimization through P1 residues.
Bioorg.Med.Chem.Lett., 11:3161-3164, 2001

PubMed Abstract: Peptidomimetic inhibitors of thrombin lacking the important Ser195-carbonyl interaction have been prepared. The binding energy lost after the removal of the activated carbonyl was recaptured through a series of modifications of the P1 residues of the bicyclic lactam inhibitors. Selected substituted compounds displayed useful pharmacological profiles both in vitro and in vivo.

PubMed: 11720865
DOI: 10.1016/S0960-894X(01)00661-8

実験手法

X-RAY DIFFRACTION (2.5 Å)