5NR7

Mtb TMK crystal structure in complex with compound 43

5NR7 の概要

• エントリーDOI: 10.2210/pdb5nr7/pdb
• 分子名称: Thymidylate kinase, 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, ... (4 entities in total)
• 機能のキーワード: thymidylate kinase, nucleotide binding, inhibitor, transferase
• 由来する生物種: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 46349.87

構造登録者

Merceron, R.,Song, L.,Munier-Lehmann, H.,Van Calenbergh, S.,Savvides, S. (登録日: 2017-04-22, 公開日: 2018-03-21, 最終更新日: 2024-01-17)

• 主引用文献: Song, L.,Merceron, R.,Gracia, B.,Quintana, A.L.,Risseeuw, M.D.P.,Hulpia, F.,Cos, P.,Ainsa, J.A.,Munier-Lehmann, H.,Savvides, S.N.,Van Calenbergh, S.; Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors.; J. Med. Chem., 61:2753-2775, 2018; PubMed: 29510037; DOI: 10.1021/acs.jmedchem.7b01570

実験手法

X-RAY DIFFRACTION (2.35 Å)