2bdy

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Image:2bdy.jpg

2bdy, resolution 1.610Å

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thrombin in complex with inhibitor

Contents

Overview

Prototypical thrombin inhibitors were synthesized based on a trisubstituted phenol as a core motif. A naphthylsulfonamide analogue showed excellent antithrombin activity. An X-ray co-crystal structure showed the expected interactions.

Disease

Known diseases associated with this structure: Dysprothrombinemia OMIM:[176930], Hyperprothrombinemia OMIM:[176930], Hypoprothrombinemia OMIM:[176930]

About this Structure

2BDY is a Protein complex structure of sequences from Homo sapiens with and as ligands. Active as Thrombin, with EC number 3.4.21.5 Full crystallographic information is available from OCA.

Reference

Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure., Hanessian S, Therrien E, van Otterlo WA, Bayrakdarian M, Nilsson I, Fjellstrom O, Xue Y, Bioorg Med Chem Lett. 2006 Feb 15;16(4):1032-6. Epub 2005 Nov 15. PMID:16290930

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