The DOI matches its Crossref record; 14 of the 14 references it cites were found in a registry or an index.
Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
Open accessAbstract
The mode of binding of four active-site directed inhibitors to human thrombin has been determined by x-ray crystallographic analysis. The inhibitors studied are benzamidine, PPACK, NAPAP, and MD-805, of which the last three are compounds evolved specifically to inhibit thrombin. Crystal structures were determined in the presence of both the inhibitor and the undecapeptide [des-amino Asp55]hirudin(55-65) which binds distant from the active site. Despite having significantly different chemical structures, NAPAP and MD-805 bind to thrombin in a very similar "inhibitor binding mode" which is not that expected by direct analogy with the binding of substrate. Both inhibitors bind to thrombin in a similar way as to trypsin, but thrombin has an extra loop, the "Tyr-Pro-Pro-Trp loop," not present in trypsin, which gives further binding interactions and is seen to move somewhat to accommodate binding of the different inhibitors. The fact that NAPAP and MD-805 require different stereochemistry for potent inhibition is demonstrated, and its structural basis clarified. The wealth of data on analogs and variants of these lead compounds is shown to be compatible with this inhibitor binding mode.
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Cites
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Cited by
Irreversible Inhibitors of Serine, Cysteine, and Threonine Proteases
Powers, J. C., Asgian, J. L., Ekici, Ö. D., & James, K. E. (2002) · Chemical Reviews · doi:10.1021/cr010182v · Cited by 1,090
A player of many parts: The spotlight falls on thrombin's structure
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Major, T. C., Brisbois, E. J., Jones, A. M., Zanetti, M. E., Annich, G. M., Bartlett, R. H., & Handa, H. (2014) · Biomaterials · doi:10.1016/j.biomaterials.2014.05.036 · Cited by 83
Metadata
- Authors
- Banner, D. W., & Hadváry, P.
- Venue
- Journal of Biological Chemistry
- Publisher
- Elsevier BV
- Published
- 1991-10
- Volume
- 266
- Issue
- 30
- Pages
- 20085-20093
- ISSN
- 0021-9258 (ISSN-L)
- OpenAlex
- W4251139957
- Cited by
- 325
- References
- 14
- FWCI
- 12.43
- Type
- journal article
- Language
- en
- Open access
- hybrid
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- Banner, D. W., & Hadváry, P. (1991). Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors. Journal of Biological Chemistry. https://doi.org/10.1016/s0021-9258(18)54894-8
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
