CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GCA-186

X-ray crystallographic structure determination of complexes with HIV-1 RT confirmed the predicted binding modes for two nonnucleoside inhibitor analogues. The dataset, from paperswithcode, was authored by Andrew L. Hopkins of Kagoshima University. It likely contains structural data related to compounds designed to be less susceptible to common drug-resistance mutations.

Use Cases

• Predicting protein-ligand binding modes based on crystallographic structure data.
• Analyzing drug-resistance mutations like Tyr181Cys and Lys103Asn based on the described inhibitory effects.
• Modeling molecular interactions for nonnucleoside reverse transcriptase inhibitor (NNRTI) design based on the described compound strategies.

Strengths

• Data is derived from X-ray crystallographic structure determination, a high-resolution experimental method.
• The description includes specific inhibitory effect comparisons, noting compounds showed approximately 30-fold greater effect against certain mutant viruses.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• Last update date is unknown; freshness unverified.

Provenance

Source

paperswithcode

Collection Method

X-ray crystallographic structure determination