4YDF

Crystal structure of compound 9 in complex with HTLV-1 Protease

4YDF の概要

• エントリーDOI: 10.2210/pdb4ydf/pdb
• 関連するPDBエントリー: 3LIX 3WSJ
• 分子名称: HTLV-1 Protease, N-benzyl-N-[(3S,4S)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: htlv-1 protease, hydrolase
• 由来する生物種: Human T-lymphotropic virus 1
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 25880.93

構造登録者

Kuhnert, M.,Blum, A.,Steuber, H.,Diederich, W.E. (登録日: 2015-02-22, 公開日: 2016-02-03, 最終更新日: 2024-01-10)

主引用文献

Kuhnert, M.,Blum, A.,Steuber, H.,Diederich, W.E.
Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors.
J.Med.Chem., 58:4845-4850, 2015

PubMed Abstract: 3,4-disubstituted pyrrolidines originally designed to inhibit the closely related HIV-1 protease were evaluated as privileged structures against HTLV-1 protease (HTLV-1 PR). The most potent inhibitor of this series exhibits two-digit nanomolar affinity and represents, to the best of our knowledge, the most potent nonpeptidic inhibitor of HTLV-1 PR described so far. The X-ray structures of two representatives bound to HTLV-1 PR were determined, and the structural basis of their affinity is discussed.

PubMed: 26000468
DOI: 10.1021/acs.jmedchem.5b00346

実験手法

X-RAY DIFFRACTION (2.804 Å)