2bdy

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Image:2bdy.gif

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 NA and UNB 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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