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TitlePotent HIV-1 protease inhibitors incorporating meso-bicyclic urethanes as P2-ligands: structure-based design, synthesis, biological evaluation and protein-ligand X-ray studies
Journal, issue, pagesOrg. Biomol. Chem., Vol. 6, Page 3703-3713, Year 2008
Publish dateJun 24, 2008 (structure data deposition date)
AuthorsGhosh, A.K. / Gemma, S. / Takayama, J. / Baldridge, A. / Leshchenko-Yashchuk, S. / Miller, H.B. / Wang, Y.F. / Kovalevsky, A.Y. / Koh, Y. / Weber, I.T. / Mitsuya, H.
External linksOrg. Biomol. Chem. / PubMed:18843400
MethodsX-ray diffraction
Resolution1.07 Å
Structure data

PDB-3dk1:
Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0105A
Method: X-RAY DIFFRACTION / Resolution: 1.07 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-G05:
(4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus type 1
KeywordsHYDROLASE / HIV-1 / wild type protease / protease inhibitor / AIDS / Aspartyl protease / Capsid maturation / Capsid protein / Cytoplasm / DNA integration / DNA recombination / DNA-directed DNA polymerase / Endonuclease / Lipoprotein / Magnesium / Metal-binding / Multifunctional enzyme / Myristate / Nuclease / Nucleotidyltransferase / Nucleus / Phosphoprotein / Protease / Ribosomal frameshifting / RNA-binding / RNA-directed DNA polymerase / Transferase / Viral nucleoprotein / Virion / Zinc / Zinc-finger

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