1TKT: CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW426318

Citation:
Abstract
We have used a structure-based approach to design a novel series of non-nucleoside inhibitors of HIV-1 RT (NNRTIs). Detailed analysis of a wide range of crystal structures of HIV-1 RT-NNRTI complexes together with data on drug resistance mutations has identified factors important for tight binding of inhibitors and resilience to mutations. Using this approach we have designed and synthesized a novel series of quinolone NNRTIs. Crystal structure analysis of four of these compounds in complexes with HIV-1 RT confirms the predicted binding modes. Members of this quinolone series retain high activity against the important resistance mutations in RT at Tyr181Cys and Leu100Ile.
PDB ID: 1TKTDownload
MMDB ID: 158846
PDB Deposition Date: 2004/6/9
Updated in MMDB: 2018/02
Experimental Method:
x-ray diffraction
Resolution: 2.6  Å
Source Organism:
Similar Structures:
Biological Unit for 1TKT: dimeric; determined by author and by software (PISA)
Molecular Components in 1TKT
Label Count Molecule
Proteins (2 molecules)
1
POL Polyproteins [reverse Transcriptase], Chain a(Gene symbol: gag-pol)
Molecule annotation
1
POL Polyproteins [reverse Transcriptase], Chain B(Gene symbol: gag-pol)
Molecule annotation
Chemicals (5 molecules)
1
3
2
1
3
1
* Click molecule labels to explore molecular sequence information.

Citing MMDB
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