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-Structure paper
Title | Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery. |
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Journal, issue, pages | J. Chem. Inf. Model., Vol. 60, Page 4144-4152, Year 2020 |
Publish date | Jan 24, 2020 (structure data deposition date) |
![]() | Yan, X.C. / Sanders, J.M. / Gao, Y.D. / Tudor, M. / Haidle, A.M. / Klein, D.J. / Converso, A. / Lesburg, C.A. / Zang, Y. / Wood, H.B. |
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Methods | X-ray diffraction |
Resolution | 1.6 - 2.32 Å |
Structure data | ![]() PDB-6vlm: ![]() PDB-6vlu: ![]() PDB-6vlv: |
Chemicals | ![]() ChemComp-R2D: ![]() ChemComp-HOH: ![]() ChemComp-CIT: ![]() ChemComp-R2Y: ![]() ChemComp-FLC: ![]() ChemComp-R3A: |
Source |
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![]() | TRANSFERASE/TRANSFERASE INHIBITOR / Inhibitor / Hydrolase / Viral Protein / TRANSFERASE-TRANSFERASE INHIBITOR complex / BLOOD CLOTTING / SERINE PROTEASE / COAGULATION FACTOR / HYDROLASE-HYDROLASE INHIBITOR COMPLEX |