2XCN

Crystal structure of HCV NS3 protease with a boronate inhibitor

Summary for 2XCN

• Entry DOI: 10.2210/pdb2xcn/pdb
• Related: 2A4Q 2A4R 2F9U 2XCF
• Descriptor: NS3 PROTEASE, NS4A, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, ... (6 entities in total)
• Functional Keywords: hydrolase, serine protease
• Biological source: HEPATITIS C VIRUS; More
• Total number of polymer chains: 4
• Total formula weight: 48164.33

Authors

Li, 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.,Thommes, P.,Ellis, M.,Edge, C.M.,Hubbard, J.A.,Nassau, P.,McDowell, B.,Skarzynski, T.J.,Rowland, P.,Somers, D.O.,Kazmierski, W.M.,Grimes, R.M.,Wright, L.L.,Smith, G.K.,Zou, W.,Wright, J.,Pennicott, L.E. (deposition date: 2010-04-23, release date: 2010-06-02, Last modification date: 2011-07-13)

• Primary citation: Li, 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; PubMed: 20493689; DOI: 10.1016/J.BMCL.2010.04.129

Experimental method

X-RAY DIFFRACTION (3.02 Å)