Journal:Acta Cryst F:S2053230X18018083
From Proteopedia
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<StructureSection load='' size='450' side='right' scene='underdevelopment' caption=''> | <StructureSection load='' size='450' side='right' scene='underdevelopment' caption=''> | ||
===An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase ligand complexes following further refinement=== | ===An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase ligand complexes following further refinement=== | ||
| - | <big>William Hunter</big> <ref>doi 10.1107/S2053230X18018083</ref> | + | <big>Renata V. Bueno, Alice Dawson and William N. Hunter</big> <ref>doi 10.1107/S2053230X18018083</ref> |
<hr/> | <hr/> | ||
<b>Molecular Tour</b><br> | <b>Molecular Tour</b><br> | ||
| + | Further refinement of three methylenetetrahydrofolate dehydrogenase/cyclohydrolase antifolate inhibitor complexes in the Protein Data Bank has produced models that allow for a critical reassessment of ligand placement. One complex has a well-ordered ligand in a catalytic site and the model provides an improved description of enzyme-inhibitor interactions. One ligand may adopt two conformations in the binding site rather than the single one previously described. There is no evidence to support incorporation of the third compound in the model. Our interpretation of the data supports a correlation between the models and inhibition activity for two of the compounds. In the case of the third, inconsistencies are noted that would need to be addressed by further work. | ||
<b>References</b><br> | <b>References</b><br> | ||
Revision as of 09:12, 23 December 2018
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