Acta Crystallogr Sect F Struct Biol Cryst Commun. 2006 Jul 1;62(Pt 7):618-22. Epub 2006 Jun 10.

X-ray crystallographic studies reveal that the incorporation of spacer groups in carbonic anhydrase inhibitors causes alternate binding modes.

Fisher SZ, Govindasamy L, Boyle N, Agbandje-McKenna M, Silverman DN, Blackburn GM, McKenna R.

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Department of Biochemistry and Molecular Biology, College of Medicine, University of Florida, Gainesville, FL 32610, USA.

Abstract

Human carbonic anhydrases (CAs) are well studied targets for the development of inhibitors for pharmaceutical applications. The crystal structure of human CA II has been determined in complex with two CA inhibitors (CAIs) containing conventional sulfonamide and thiadiazole moieties separated by a -CF2- or -CHNH2- spacer group. The structures presented here reveal that these spacer groups allow novel binding modes for the thiadiazole moiety compared with conventional CAIs.

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PMCID:: PMC2242956

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Cited by 1 PubMed Central article

Atomic resolution studies of carbonic anhydrase II. [Acta Crystallogr D Biol Crysta...]
Atomic resolution studies of carbonic anhydrase II.
Behnke CA, Le Trong I, Godden JW, Merritt EA, Teller DC, Bajorath J, Stenkamp RE. Acta Crystallogr D Biol Crystallogr. 2010 May; 66(Pt 5):616-27. Epub 2010 Apr 21.

Structures reported by this article

Human Carbonic Anhydrase Ii In Complex With Novel Inhibitors

PDB: 2EU3

Source: Homo sapiens

Method: X-Ray Diffraction

Resolution: 1.6 Å

See all 2 structures...

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