The structure of an HIV-1 specific cell entry inhibitor in complex with the HIV-1 gp41 trimeric core.
Bioorg Med Chem
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Abstract | The three-dimensional structure of the complex between an HIV-1 cell-entry inhibitor selected from screening a combinatorial library of non-natural building blocks and the central, trimeric, coiled-coil core of HIV-1 gp41 has been determined by X-ray crystallography. The biased combinatorial library was designed to identify ligands binding in nonpolar pockets on the surface of the coiled-coil core of gp41. The crystal structure shows that the non-peptide moiety of the inhibitor binds to the targeted cavity in two different binding modes. This result suggests a strategy for increasing inhibitor potency by use of a second-generation combinatorial library designed to give simultaneous occupancy of both binding sites. |
Year of Publication | 2000
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Journal | Bioorg Med Chem
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Volume | 8
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Issue | 9
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Pages | 2219-27
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Date Published | 2000 Sep
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ISSN | 0968-0896
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PubMed ID | 11026535
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Grant list | GM-39589 / GM / NIGMS NIH HHS / United States
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