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3KHJ

C. parvum inosine monophosphate dehydrogenase bound by inhibitor C64

Summary for 3KHJ
Entry DOI10.2210/pdb3khj/pdb
Related1LRT 1NF7 1NFB 1PVN 1ZFJ
DescriptorInosine-5-monophosphate dehydrogenase, INOSINIC ACID, N-(4-bromophenyl)-2-[2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]acetamide, ... (5 entities in total)
Functional Keywordsenzyme-inhibitor complex, oxidoreductase
Biological sourceCryptosporidium parvum
More
Total number of polymer chains8
Total formula weight312216.09
Authors
MacPherson, I.S.,Hedstrom, L.K. (deposition date: 2009-10-30, release date: 2010-02-02, Last modification date: 2024-02-21)
Primary citationMacpherson, I.S.,Kirubakaran, S.,Gorla, S.K.,Riera, T.V.,D'Aquino, J.A.,Zhang, M.,Cuny, G.D.,Hedstrom, L.
The structural basis of Cryptosporidium -specific IMP dehydrogenase inhibitor selectivity.
J.Am.Chem.Soc., 132:1230-1231, 2010
Cited by
PubMed Abstract: 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.
PubMed: 20052976
DOI: 10.1021/ja909947a
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.8 Å)
Structure validation

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數據於2024-11-06公開中

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