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2XCF

Crystal structure of HCV NS3 protease with a boronate inhibitor

Summary for 2XCF
Entry DOI10.2210/pdb2xcf/pdb
DescriptorNS3 PROTEASE, NS4A, ZINC ION, ... (6 entities in total)
Functional Keywordsprotease, boronate inhibitor, viral reproduction, hydrolase
Biological sourceHEPATITIS C VIRUS
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Total number of polymer chains4
Total formula weight47604.93
Authors
Primary citationLi, X.,Zhang, Y.-K.,Liu, Y.,Ding, C.Z.,Li, Q.,Zhou, Y.,Plattner, J.J.,Baker, S.J.,Qian, X.,Fan, D.,Liao, L.,Ni, Z.-J.,White, G.V.,Mordaunt, J.E.,Lazarides, L.X.,Slater, M.J.,Jarvest, R.L.,Edge, C.M.,Hubbard, J.A.,Nassau, P.,Mcdowell, B.,Skarzynski, T.J.,Thommes, P.,Ellis, M.,Rowland, P.,Somers, D.O.,Kazmierski, W.M.,Grimes, R.M.,Wright, L.L.,Smith, G.K.,Zou, W.,Wright, J.,Pennicott, L.E.
Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20:3550-, 2010
Cited by
PubMed Abstract: We have designed and synthesized a novel series of alpha-amino cyclic boronates and incorporated them successfully in several acyclic templates at the P1 position. These compounds are inhibitors of the HCV NS3 serine protease, and structural studies show that they inhibit the NS3 protease by trapping the Ser-139 hydroxyl group in the active site. Synthetic methodologies and SARs of this series of compounds are described.
PubMed: 20493689
DOI: 10.1016/J.BMCL.2010.04.129
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.48 Å)
Structure validation

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건을2025-07-09부터공개중

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