+Search query
-Structure paper
Title | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening. |
---|---|
Journal, issue, pages | J. Med. Chem., Vol. 52, Page 4454-, Year 2009 |
Publish date | Mar 20, 2009 (structure data deposition date) |
Authors | Mpamhanga, C.P. / Spinks, D. / Tulloch, L.B. / Shanks, E.J. / Robinson, D.A. / Collie, I.T. / Fairlamb, A.H. / Wyatt, P.G. / Frearson, J.A. / Hunter, W.N. ...Mpamhanga, C.P. / Spinks, D. / Tulloch, L.B. / Shanks, E.J. / Robinson, D.A. / Collie, I.T. / Fairlamb, A.H. / Wyatt, P.G. / Frearson, J.A. / Hunter, W.N. / Gilbert, I.H. / Brenk, R. |
External links | J. Med. Chem. / PubMed:19527033 |
Methods | X-ray diffraction |
Resolution | 1.6 - 2.1 Å |
Structure data | PDB-2wd7: PDB-2wd8: PDB-3gn1: PDB-3gn2: |
Chemicals | ChemComp-NAP: ChemComp-VGD: ChemComp-HOH: ChemComp-CL: ChemComp-VGF: ChemComp-AX7: ChemComp-ACT: ChemComp-AX8: |
Source |
|
Keywords | OXIDOREDUCTASE / SHORT-CHAIN DEHYDROGENASE/REDUCTASE / DRUG DISCOVERY / TRYPANOSOMATIDS / PTERIDINE REDUCTASE / METHOTREXATE RESISTANCE / PTR1 / TRYPANOSOMA BRUCEI / SHORT CHAIN DEHYDROGENASE / INHIBITOR |