2JLE

Novel indazole nnrtis created using molecular template hybridization based on crystallographic overlays

2JLE の概要

• エントリーDOI: 10.2210/pdb2jle/pdb
• 分子名称: REVERSE TRANSCRIPTASE/RNASEH, 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile (3 entities in total)
• 機能のキーワード: dna-directed dna polymerase, endonuclease, metal-binding, phosphoprotein, nuclease, myristate, hydrolase, cytoplasm, magnesium, rna-directed dna polymerase, capsid protein, dna integration, aspartyl protease, multifunctional enzyme, ribosomal frameshifting, capsid maturation, dna recombination, viral nucleoprotein, nucleotidyltransferase, zinc-finger, rna-binding, transferase, lipoprotein, zinc, aids, nnrti, hiv-1, virion, nucleus, protease
• 由来する生物種: HUMAN IMMUNODEFICIENCY VIRUS 1
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 130739.60

構造登録者

Jones, L.H.,Allan, G.,Barba, O.,Burt, C.,Corbau, R.,Dupont, T.,Irving, S.,Mowbray, C.E.,Phillips, C.,Swain, N.A.,Webster, R.,Westby, M. (登録日: 2008-09-08, 公開日: 2009-08-04, 最終更新日: 2024-05-08)

• 主引用文献: Jones, L.H.,Allan, G.,Barba, O.,Burt, C.,Corbau, R.,Dupont, T.,Knochel, T.,Irving, S.,Middleton, D.S.,Mowbray, C.E.,Perros, M.,Ringrose, H.,Swain, N.A.,Webster, R.,Westby, M.,Phillips, C.; Novel Indazole Non-Nucleoside Reverse Transcriptase Inhibitors Using Molecular Hybridization Based on Crystallographic Overlays.; J.Med.Chem., 52:1219-, 2009; PubMed: 19175319; DOI: 10.1021/JM801322H

実験手法

X-RAY DIFFRACTION (2.9 Å)