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Structure paper

TitleStructural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant.
Journal, issue, pagesEur. J. Biochem., Vol. 269, Page 1670-1677, Year 2002
Publish dateMay 7, 2001 (structure data deposition date)
AuthorsLindberg, J. / Sigurdsson, S. / Lowgren, S. / Andersson, H.O. / Sahlberg, C. / Noreen, R. / Fridborg, K. / Zhang, H. / Unge, T.
External linksEur. J. Biochem. / PubMed:11895437
MethodsX-ray diffraction
Resolution2.8 - 3 Å
Structure data

PDB-1ikv:
K103N Mutant HIV-1 Reverse Transcriptase in Complex with Efivarenz
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-1ikw:
Wild Type HIV-1 Reverse Transcriptase in Complex with Efavirenz
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-1ikx:
K103N Mutant HIV-1 Reverse Transcriptase in Complex with the Inhibitor PNU142721
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-1iky:
HIV-1 Reverse Transcriptase in Complex with the Inhibitor MSC194
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-EFZ:
(-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE / medication, antiretroviral*YM

ChemComp-PNU:
6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE

ChemComp-HOH:
WATER

ChemComp-MSD:
1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-PHENYL)-CYCLOPROPYL]-3-(5-CYANO-PYRIDIN-2-YL)-THIOUREA

Source
  • human immunodeficiency virus 1
KeywordsTRANSFERASE / Heterodimer / protein-inhibitor complex

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