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2JLE

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

Summary for 2JLE
Entry DOI10.2210/pdb2jle/pdb
DescriptorREVERSE TRANSCRIPTASE/RNASEH, 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile (3 entities in total)
Functional Keywordsdna-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
Biological sourceHUMAN IMMUNODEFICIENCY VIRUS 1
Total number of polymer chains2
Total formula weight130739.60
Authors
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. (deposition date: 2008-09-08, release date: 2009-08-04, Last modification date: 2011-07-13)
Primary citationJones, 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
Cited by
PubMed: 19175319
DOI: 10.1021/JM801322H
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.9 Å)
Structure validation

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