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-Structure paper
Title | Thermodynamics of protein-ligand interactions as a reference for computational analysis: how to assess accuracy, reliability and relevance of experimental data. |
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Journal, issue, pages | J. Comput. Aided Mol. Des., Vol. 29, Page 867-883, Year 2015 |
Publish date | Sep 12, 2015 (structure data deposition date) |
![]() | Krimmer, S.G. / Klebe, G. |
![]() | ![]() ![]() |
Methods | X-ray diffraction |
Resolution | 1.34 - 1.47 Å |
Structure data | ![]() PDB-5dpe: ![]() PDB-5dpf: |
Chemicals | ![]() ChemComp-5H8: ![]() ChemComp-ZN: ![]() ChemComp-CA: ![]() ChemComp-DMS: ![]() ChemComp-GOL: ![]() ChemComp-HOH: ![]() ChemComp-5H9: |
Source |
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![]() | HYDROLASE / METALLOPROTEASE / HYDROLASE INHIBITOR COMPLEX / PROTEASE |