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Structure paper

TitleCrystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
Journal, issue, pagesJ. Med. Chem., Vol. 53, Page 4295-4299, Year 2010
Publish dateMar 31, 2010 (structure data deposition date)
AuthorsLansdon, E.B. / Brendza, K.M. / Hung, M. / Wang, R. / Mukund, S. / Jin, D. / Birkus, G. / Kutty, N. / Liu, X.
External linksJ. Med. Chem. / PubMed:20438081
MethodsX-ray diffraction
Resolution2.3 - 2.8 Å
Structure data

PDB-3mec:
HIV-1 Reverse Transcriptase in Complex with TMC125
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3med:
HIV-1 K103N Reverse Transcriptase in Complex with TMC125
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3mee:
HIV-1 Reverse Transcriptase in Complex with TMC278
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-3meg:
HIV-1 K103N Reverse Transcriptase in Complex with TMC278
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-65B:
4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE / medication, antiretroviral, inhibitor*YM

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-CL:
Unknown entry

ChemComp-T27:
4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile / medication, inhibitor*YM

Source
  • hiv-1 m:b_hxb2r (virus)
KeywordsTRANSFERASE / HIV / reverse transcriptase / TMC125 / etravirine / NNRTI / TMC278 / rilpivirine

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