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TitleCrystal Structure of HIV-1 reverse transcriptase (RT) in complex with the alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate.
Journal, issue, pagesJ. Med. Chem., Vol. 52, Page 6467-6473, Year 2009
Publish dateAug 24, 2009 (structure data deposition date)
AuthorsCullen, M.D. / Ho, W.C. / Bauman, J.D. / Das, K. / Arnold, E. / Hartman, T.L. / Watson, K.M. / Buckheit, R.W. / Pannecouque, C. / De Clercq, E. / Cushman, M.
External linksJ. Med. Chem. / PubMed:19775161
MethodsX-ray diffraction
Resolution2.55 - 2.8 Å
Structure data

PDB-3irx:
Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate.
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-3is9:
Crystal structure of the HIV-1 reverse transcriptase (RT) in complex with the alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate).
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

Chemicals

ChemComp-UDR:
(E)-S-Methyl

ChemComp-AC7:
dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate)

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus type 1 bh10
Keywordstransferase/hydrolase / NNRTI / NONNUCLEOSIDE INHIBITOR / AIDS / HIV / P51/P66 / ADAM / Aspartyl protease / Cell membrane / Cytoplasm / DNA integration / DNA recombination / DNA-directed DNA polymerase / Endonuclease / Hydrolase / Lipoprotein / Membrane / Metal-binding / Multifunctional enzyme / Myristate / Nuclease / Nucleotidyltransferase / Nucleus / Phosphoprotein / Protease / RNA-binding / RNA-directed DNA polymerase / Transferase / Viral nucleoprotein / Virion / Zinc / Zinc-finger / transferase-hydrolase COMPLEX

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