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-Structure paper
Title | Combinatorial computational method gives new picomolar ligands for a known enzyme. |
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Journal, issue, pages | Proc. Natl. Acad. Sci. USA, Vol. 99, Page 1270-1273, Year 2002 |
Publish date | Apr 12, 2001 (structure data deposition date) |
Authors | Grzybowski, B.A. / Ishchenko, A.V. / Kim, C.Y. / Topalov, G. / Chapman, R. / Christianson, D.W. / Whitesides, G.M. / Shakhnovich, E.I. |
External links | Proc. Natl. Acad. Sci. USA / PubMed:11818565 |
Methods | X-ray diffraction |
Resolution | 1.94 - 2 Å |
Structure data | PDB-1if7: PDB-1if8: PDB-1if9: |
Chemicals | ChemComp-ZN: ChemComp-HG: ChemComp-SBR: ChemComp-HOH: ChemComp-SBS: ChemComp-SBB: |
Source |
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Keywords | LYASE / Carbonic Anhydrase II / (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide / (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide / N-[2-(1H-Indol-5-yl)-butyl]-4-sulfamoyl-benzamide |