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TitleCrystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains.
Journal, issue, pagesJ. Med. Chem., Vol. 48, Page 7582-7591, Year 2005
Publish dateSep 28, 2005 (structure data deposition date)
AuthorsHimmel, D.M. / Das, K. / Clark Jr., A.D. / Hughes, S.H. / Benjahad, A. / Oumouch, S. / Guillemont, J. / Coupa, S. / Poncelet, A. / Csoka, I. ...Himmel, D.M. / Das, K. / Clark Jr., A.D. / Hughes, S.H. / Benjahad, A. / Oumouch, S. / Guillemont, J. / Coupa, S. / Poncelet, A. / Csoka, I. / Meyer, C. / Andries, K. / Nguyen, C.H. / Grierson, D.S. / Arnold, E.
External linksJ. Med. Chem. / PubMed:16302798
MethodsX-ray diffraction
Resolution2.43 - 2.95 Å
Structure data

PDB-2b5j:
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with JANSSEN-R165481
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-2ban:
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with JANSSEN-R157208
Method: X-RAY DIFFRACTION / Resolution: 2.95 Å

PDB-2be2:
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with R221239
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

Chemicals

ChemComp-MN:
Unknown entry

ChemComp-3AC:
(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE

ChemComp-HOH:
WATER

ChemComp-357:
5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-2(1H)-ONE

ChemComp-GOL:
GLYCEROL

ChemComp-R22:
4-(3,5-DIMETHYLPHENOXY)-5-(FURAN-2-YLMETHYLSULFANYLMETHYL)-3-IODO-6-METHYLPYRIDIN-2(1H)-ONE

Source
  • human immunodeficiency virus 1
KeywordsTRANSFERASE / AIDS / HIV / DRUG DESIGN / REVERSE TRANSCRIPTASE / RT / PROTEIN-INHIBITOR COMPLEX / DRUG RESISTANCE

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