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Structure paper

TitleMolecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 107, Page 20057-20062, Year 2010
Publish dateSep 23, 2010 (structure data deposition date)
AuthorsHare, S. / Vos, A.M. / Clayton, R.F. / Thuring, J.W. / Cummings, M.D. / Cherepanov, P.
External linksProc. Natl. Acad. Sci. USA / PubMed:21030679
MethodsX-ray diffraction
Resolution2.02 - 2.74 Å
Structure data

PDB-3oya:
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and raltegravir at 2.65 resolution
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

PDB-3oyb:
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI MK2048
Method: X-RAY DIFFRACTION / Resolution: 2.54 Å

PDB-3oyc:
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI PICA
Method: X-RAY DIFFRACTION / Resolution: 2.66 Å

PDB-3oyd:
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI GS9160
Method: X-RAY DIFFRACTION / Resolution: 2.54 Å

PDB-3oye:
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI Compound2
Method: X-RAY DIFFRACTION / Resolution: 2.74 Å

PDB-3oyf:
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI L-870,810
Method: X-RAY DIFFRACTION / Resolution: 2.51 Å

PDB-3oyg:
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI Compound1 (CompoundG)
Method: X-RAY DIFFRACTION / Resolution: 2.56 Å

PDB-3oyh:
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI MK0536
Method: X-RAY DIFFRACTION / Resolution: 2.74 Å

PDB-3oyi:
Crystal structure of the PFV S217Q mutant intasome in complex with manganese
Method: X-RAY DIFFRACTION / Resolution: 2.72 Å

PDB-3oyj:
Crystal structure of the PFV S217Q mutant intasome in complex with magnesium and the INSTI MK2048
Method: X-RAY DIFFRACTION / Resolution: 2.68 Å

PDB-3oyk:
Crystal structure of the PFV S217H mutant intasome bound to manganese
Method: X-RAY DIFFRACTION / Resolution: 2.72 Å

PDB-3oyl:
Crystal structure of the PFV S217H mutant intasome bound to magnesium and the INSTI MK2048
Method: X-RAY DIFFRACTION / Resolution: 2.54 Å

PDB-3oym:
Crystal structure of the PFV N224H mutant intasome bound to manganese
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-3oyn:
Crystal structure of the PFV N224H mutant intasome bound to magnesium and the INSTI MK2048
Method: X-RAY DIFFRACTION / Resolution: 2.68 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-SO4:
SULFATE ION / Sulfate

ChemComp-GOL:
GLYCEROL / Glycerol

ChemComp-NH4:
AMMONIUM ION / Ammonium

ChemComp-MG:
Unknown entry

ChemComp-RLT:
N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di / medication, antiretroviral*YM / Raltegravir

ChemComp-HOH:
WATER / Water

ChemComp-ZZX:
(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide / inhibitor*YM / MK-2048

ChemComp-ZZW:
9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide

ChemComp-ZZV:
N-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide

ChemComp-ZYY:
N-[(6S)-2-(4-fluorobenzyl)-10-hydroxy-6-methyl-8-(1-methylethyl)-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazin-4-yl]-N-methylmethanesulfonamide

ChemComp-ZYP:
5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide

ChemComp-ZYO:
(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2H,6H)-dione

ChemComp-ZYN:
6-(3-chloro-4-fluorobenzyl)-4-hydroxy-N,N-dimethyl-2-(1-methylethyl)-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxamide

ChemComp-MN:
Unknown entry

ChemComp-HEZ:
HEXANE-1,6-DIOL / 1,6-Hexanediol

Source
  • human spumaretrovirus
KeywordsRECOMBINATION / VIRAL PROTEIN/DNA / PROTEIN-DNA COMPLEX / TETRAMER / DNA INTEGRATION / ENDONUCLEASE / METAL-BINDING / MULTIFUNCTIONAL ENZYME / NUCLEASE / NUCLEOTIDYLTRANSFERASE / NUCLEUS / TRANSFERASE / VIRAL NUCLEOPROTEIN / VIRION / DNA-BINDING / ZINC BINDING / HHCC MOTIF / VIRAL PROTEIN / INHIBITOR / DNA-BINDING PROTEIN-DNA complex / VIRAL PROTEIN-DNA complex

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