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-Structure paper
Title | Ultra-large library docking for discovering new chemotypes. |
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Journal, issue, pages | Nature, Vol. 566, Page 224-229, Year 2019 |
Publish date | Jun 9, 2018 (structure data deposition date) |
![]() | Lyu, J. / Wang, S. / Balius, T.E. / Singh, I. / Levit, A. / Moroz, Y.S. / O'Meara, M.J. / Che, T. / Algaa, E. / Tolmachova, K. ...Lyu, J. / Wang, S. / Balius, T.E. / Singh, I. / Levit, A. / Moroz, Y.S. / O'Meara, M.J. / Che, T. / Algaa, E. / Tolmachova, K. / Tolmachev, A.A. / Shoichet, B.K. / Roth, B.L. / Irwin, J.J. |
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Methods | X-ray diffraction |
Resolution | 1.5 - 1.91 Å |
Structure data | ![]() PDB-6dpt: ![]() PDB-6dpx: ![]() PDB-6dpy: ![]() PDB-6dpz: |
Chemicals | ![]() ChemComp-H7M: ![]() ChemComp-HOH: ![]() ChemComp-H7G: ![]() ChemComp-H7A: ![]() ChemComp-H7D: |
Source |
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![]() | HYDROLASE/HYDROLASE Inhibitor / AmpC beta-lacatamase / inhibitor complex / phenolate / HYDROLASE-HYDROLASE Inhibitor complex |