5C25: Crystal Structure Of Hiv-1 Reverse Transcriptase In Complex With 6- ((4-((4-cyanophenyl)amino)-1,3,5-triazin-2-yl)amino)-5,7-dimethyl-2- Naphthonitrile (jlj639), A Non-nucleoside Inhibitor

Citation:
Abstract
Non-nucleoside inhibitors of HIV-1 reverse transcriptase (HIV-RT) are reported that incorporate a 7-indolizinylamino or 2-naphthylamino substituent on a pyrimidine or 1,3,5-triazine core. The most potent compounds show below 10 nanomolar activity towards wild-type HIV-1 and variants bearing Tyr181Cys and Lys103Asn/Tyr181Cys resistance mutations. The compounds also feature good aqueous solubility. Crystal structures for two complexes enhance the analysis of the structure-activity data.
PDB ID: 5C25Download
MMDB ID: 131357
PDB Deposition Date: 2015/6/15
Updated in MMDB: 2015/10
Experimental Method:
x-ray diffraction
Resolution: 2.84  Å
Source Organism:
Similar Structures:
Biological Unit for 5C25: dimeric; determined by author and by software (PISA)
Molecular Components in 5C25
Label Count Molecule
Proteins (2 molecules)
1
Hiv-1 Reverse Transcriptase, P66 Subunit
Molecule annotation
1
Hiv-1 Reverse Transcriptase, P51 Subunit
Molecule annotation
Chemicals (4 molecules)
1
1
2
2
3
1
* Click molecule labels to explore molecular sequence information.

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