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Structure paper

TitleStructural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 51, Page 5000-5008, Year 2008
Publish dateJun 27, 2008 (structure data deposition date)
AuthorsRen, J. / Chamberlain, P.P. / Stamp, A. / Short, S.A. / Weaver, K.L. / Romines, K.R. / Hazen, R. / Freeman, A. / Ferris, R.G. / Andrews, C.W. ...Ren, J. / Chamberlain, P.P. / Stamp, A. / Short, S.A. / Weaver, K.L. / Romines, K.R. / Hazen, R. / Freeman, A. / Ferris, R.G. / Andrews, C.W. / Boone, L. / Chan, J.H. / Stammers, D.K.
External linksJ. Med. Chem. / PubMed:18665583
MethodsX-ray diffraction
Resolution2.2 - 3.1 Å
Structure data

PDB-3dle:
Crystal structure of hiv-1 reverse transcriptase in complex with GF128590.
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3dlg:
Crystal structure of hiv-1 reverse transcriptase in complex with GW564511.
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-3dm2:
Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with GW564511.
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

PDB-3dmj:
CRYSTAL STRUCTURE OF HIV-1 V106A and Y181C MUTANT REVERSE TRANSCRIPTASE IN COMPLEX WITH GW564511.
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-3dok:
Crystal structure of K103N mutant HIV-1 reverse transcriptase in complex with GW678248.
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-3dol:
Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with GW695634.
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-GFA:
2-[4-chloro-2-(phenylcarbonyl)phenoxy]-N-phenylacetamide

ChemComp-HOH:
WATER / Water

ChemComp-PO4:
PHOSPHATE ION / Phosphate

ChemComp-GWE:
N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide

ChemComp-GWJ:
2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-N-(2-methyl-4-sulfamoylphenyl)acetamide

ChemComp-GWI:
N-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide

Source
  • hiv-1 m:b_hxb2r (virus)
  • human immunodeficiency virus type 1
KeywordsTRANSFERASE / HIV-1 REVERSE TRANSCRIPTASE / AIDS / NNRTI / GF128590 / DRUG RESISTANCE / Hydrolase / GW564511 / K103N mutation / GW678248 / GW695634

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