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 Cited by PubMed: 20493689DOI: 10.1016/J.BMCL.2010.04.129 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (3.02 Å) |
Structure validation
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