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TitleX-ray structure and conformational dynamics of the HIV-1 protease in complex with the inhibitor SDZ283-910: agreement of time-resolved spectroscopy and molecular dynamics simulations.
Journal, issue, pagesJ. Mol. Biol., Vol. 286, Page 1147-1159, Year 1999
Publish dateMar 24, 1998 (structure data deposition date)
AuthorsRinghofer, S. / Kallen, J. / Dutzler, R. / Billich, A. / Visser, A.J. / Scholz, D. / Steinhauser, O. / Schreiber, H. / Auer, M. / Kungl, A.J.
External linksJ. Mol. Biol. / PubMed:10047488
MethodsX-ray diffraction
Resolution2.5 Å
Structure data

PDB-1a8g:
HIV-1 PROTEASE IN COMPLEX WITH SDZ283-910
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-2Z4:
benzyl [(1R)-1-({(1S,2S,3S)-1-benzyl-2-hydroxy-4-({(1S)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE/HYDROLASE INHIBITOR / ACID PROTEINASE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX

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