The DOI matches its Crossref record; 119 of the 119 references it cites were found in a registry or an index.
KLIFS: A Knowledge-Based Structural Database To Navigate Kinase–Ligand Interaction Space
Open accessAbstract
Protein kinases regulate the majority of signal transduction pathways in cells and have become important targets for the development of designer drugs. We present a systematic analysis of kinase-ligand interactions in all regions of the catalytic cleft of all 1252 human kinase-ligand cocrystal structures present in the Protein Data Bank (PDB). The kinase-ligand interaction fingerprints and structure database (KLIFS) contains a consistent alignment of 85 kinase ligand binding site residues that enables the identification of family specific interaction features and classification of ligands according to their binding modes. We illustrate how systematic mining of kinase-ligand interaction space gives new insights into how conserved and selective kinase interaction hot spots can accommodate the large diversity of chemical scaffolds in kinase ligands. These analyses lead to an improved understanding of the structural requirements of kinase binding that will be useful in ligand discovery and design studies.
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Cited by
Roskoski, R. (2016) · Pharmacological Research · doi:10.1016/j.phrs.2015.10.021 · Cited by 886
Properties of FDA-approved small molecule protein kinase inhibitors: A 2020 update
Roskoski, R. (2020) · Pharmacological Research · doi:10.1016/j.phrs.2019.104609 · Cited by 559
Properties of FDA-approved small molecule protein kinase inhibitors
Roskoski, R. (2019) · Pharmacological Research · doi:10.1016/j.phrs.2019.03.006 · Cited by 554
Defining a new nomenclature for the structures of active and inactive kinases
Modi, V., & Dunbrack, R. L. (2019) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1814279116 · Cited by 367
Targeting ERK1/2 protein-serine/threonine kinases in human cancers
Roskoski, R. (2019) · Pharmacological Research · doi:10.1016/j.phrs.2019.01.039 · Cited by 308
Metadata
- Authors
- van Linden, O. P. J., Kooistra, A. J., Leurs, R., de Esch, I. J. P., & de Graaf, C.
- Venue
- Journal of Medicinal Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 2013-09-20
- Volume
- 57
- Issue
- 2
- Pages
- 249-277
- ISSN
- 0022-2623 (ISSN-L)
- 1520-4804
- OpenAlex
- W1975436091
- Cited by
- 298
- References
- 119
- FWCI
- 13.45
- Type
- journal article
- Language
- en
- Open access
- green
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- CoChat. (2026). Citation check: KLIFS: A Knowledge-Based Structural Database To Navigate Kinase–Ligand Interaction Space. https://app.cochat.ai/papers/10.1021/jm400378w
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- van Linden, O. P. J., Kooistra, A. J., Leurs, R., de Esch, I. J. P., & de Graaf, C. (2014). KLIFS: A Knowledge-Based Structural Database To Navigate Kinase–Ligand Interaction Space. Journal of Medicinal Chemistry. https://doi.org/10.1021/jm400378w
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