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JLigand: a graphical tool for the CCP 4 template-restraint library
Open accessAbstract
Biological macromolecules are polymers and therefore the restraints for macromolecular refinement can be subdivided into two sets: restraints that are applied to atoms that all belong to the same monomer and restraints that are associated with the covalent bonds between monomers. The CCP 4 template-restraint library contains three types of data entries defining template restraints: descriptions of monomers and their modifications, both used for intramonomer restraints, and descriptions of links for intermonomer restraints. The library provides generic descriptions of modifications and links for protein, DNA and RNA chains, and for some post-translational modifications including glycosylation. Structure-specific template restraints can be defined in a user's additional restraint library. Here, JLigand, a new CCP 4 graphical interface to LibCheck and REFMAC that has been developed to manage the user's library and generate new monomer entries is described, as well as new entries for links and associated modifications.
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Overview of the CCP 4 suite and current developments
Winn, M. D., Ballard, C. C., Cowtan, K. D., Dodson, E. J., Emsley, P., Evans, P. R., Keegan, R. M., Krissinel, E. B., Leslie, A. G. W., McCoy, A., et al. (2011) · Acta Crystallographica Section D Biological Crystallography · doi:10.1107/s0907444910045749 · Cited by 12,353
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Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer’s disease
Zhang, Z., Obianyo, O., Dall, E., Du, Y., Fu, H., Liu, X., Kang, S. S., Song, M., Yu, S.-P., Cabrele, C., et al. (2017) · Nature Communications · doi:10.1038/ncomms14740 · Cited by 146
Metadata
- Authors
- Lebedev, A. A., Young, P., Isupov, M. N., Moroz, O. V., Vagin, A. A., & Murshudov, G. N.
- Venue
- Acta Crystallographica Section D Biological Crystallography
- Published
- 2012-03-17
- Volume
- 68
- Issue
- 4
- Pages
- 431-440
- ISSN
- 0907-4449 (ISSN-L)
- OpenAlex
- W2109613748
- Cited by
- 429
- References
- 1
- FWCI
- 11.00
- Type
- journal article
- Language
- en
- Open access
- hybrid
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- Lebedev, A. A., Young, P., Isupov, M. N., Moroz, O. V., Vagin, A. A., & Murshudov, G. N. (2012). JLigand: a graphical tool for the CCP 4 template-restraint library. Acta Crystallographica Section D Biological Crystallography. https://doi.org/10.1107/s090744491200251x
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