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TitleCrystallographic analysis of the binding modes of thiazoloisoindolinone non-nucleoside inhibitors to HIV-1 reverse transcriptase and comparison with modeling studies.
Journal, issue, pagesJ. Med. Chem., Vol. 42, Page 3845-3851, Year 1999
Publish dateJul 19, 1999 (structure data deposition date)
AuthorsRen, J. / Esnouf, R.M. / Hopkins, A.L. / Stuart, D.I. / Stammers, D.K.
External linksJ. Med. Chem. / PubMed:10508433
MethodsX-ray diffraction
Resolution2.52 - 2.7 Å
Structure data

PDB-1c0t:
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+21.1326
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-1c0u:
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+50.0934
Method: X-RAY DIFFRACTION / Resolution: 2.52 Å

Chemicals

ChemComp-BM1:
(R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE

ChemComp-HOH:
WATER

ChemComp-BM5:
(R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER

Source
  • human immunodeficiency virus 1
KeywordsTRANSFERASE / HIV-1 REVERSE TRANSCRIPTASE / AIDS / NON-NUCLEOSIDE INHIBITOR / DRUG DESIGN

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