Structural highlights
3khj is a 8 chain structure with sequence from Crypi. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
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| Ligands: | , , |
| Related: | 1nfb, 1pvn, 1zfj, 1nf7, 1lrt |
| Gene: | cgd6_20, GuaB (CRYPI) |
| Activity: | IMP dehydrogenase, with EC number 1.1.1.205 |
| Resources: | FirstGlance, OCA, PDBe, RCSB, PDBsum |
Evolutionary Conservation
Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.
Publication Abstract from PubMed
Cryptosporidium parvum is a potential biowarfare agent, an important AIDS pathogen, and a major cause of diarrhea and malnutrition. No vaccines or effective drug treatment exist to combat Cryptosporidium infection. This parasite relies on inosine 5'-monophosphate dehydrogenase (IMPDH) to obtain guanine nucleotides, and inhibition of this enzyme blocks parasite proliferation. Here, we report the first crystal structures of CpIMPDH. These structures reveal the structural basis of inhibitor selectivity and suggest a strategy for further optimization. Using this information, we have synthesized low-nanomolar inhibitors that display 10(3) selectivity for the parasite enzyme over human IMPDH2.
The Structural Basis of Cryptosporidium -Specific IMP Dehydrogenase Inhibitor Selectivity.,Macpherson IS, Kirubakaran S, Gorla SK, Riera TV, D'Aquino JA, Zhang M, Cuny GD, Hedstrom L J Am Chem Soc. 2010 Jan 6. PMID:20052976[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
See Also
References
- ↑ Macpherson IS, Kirubakaran S, Gorla SK, Riera TV, D'Aquino JA, Zhang M, Cuny GD, Hedstrom L. The Structural Basis of Cryptosporidium -Specific IMP Dehydrogenase Inhibitor Selectivity. J Am Chem Soc. 2010 Jan 6. PMID:20052976 doi:10.1021/ja909947a
