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Structure paper

TitleThermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Journal, issue, pagesChemmedchem, Vol. 4, Page 1985-, Year 2009
Publish dateMar 31, 2009 (structure data deposition date)
AuthorsScott, A.D. / Phillips, C. / Alex, A. / Flocco, M. / Bent, A. / Randall, A. / O'Brien, R. / Damian, L. / Jones, L.H.
External linksChemmedchem / PubMed:19882701
MethodsX-ray diffraction
Resolution1.1 - 2.09 Å
Structure data

PDB-2weg:
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-2weh:
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

PDB-2wej:
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-2weo:
Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-FBV:
2-fluorobenzenesulfonamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-FB1:
2-CHLOROBENZENESULFONAMIDE

ChemComp-FB2:
benzenesulfonamide

ChemComp-FBW:
3-fluorobenzenesulfonamide

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

Source
  • homo sapiens (human)
KeywordsLYASE / METAL-BINDING / DISEASE MUTATION / ZINC / CYTOPLASM / ACETYLATION / POLYMORPHISM

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