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-Structure paper
Title | Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand binding. |
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Journal, issue, pages | Chemmedchem, Vol. 7, Page 1423-1434, Year 2012 |
Publish date | Jul 29, 2011 (structure data deposition date) |
![]() | Biela, A. / Betz, M. / Heine, A. / Klebe, G. |
![]() | ![]() ![]() |
Methods | X-ray diffraction |
Resolution | 1.28 - 1.6 Å |
Structure data | ![]() PDB-3t73: ![]() PDB-3t74: ![]() PDB-3t8f: ![]() PDB-3t8g: |
Chemicals | ![]() ChemComp-UBX: ![]() ChemComp-GOL: ![]() ChemComp-DMS: ![]() ChemComp-ZN: ![]() ChemComp-CA: ![]() ChemComp-HOH: ![]() ChemComp-UBY: ![]() ChemComp-UBU: ![]() ChemComp-UBT: |
Source |
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![]() | HYDROLASE/HYDROLASE INHIBITOR / protease / metalloprotease / hydrolysis of peptide bonds / phosphoramidon / HYDROLASE-HYDROLASE INHIBITOR complex |