4KLB
Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176
Summary for 4KLB
Entry DOI | 10.2210/pdb4klb/pdb |
Related | 4KNO |
Descriptor | Cruzipain, 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide (3 entities in total) |
Functional Keywords | hydrolase, protease, thiol protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Trypanosoma cruzi |
Total number of polymer chains | 5 |
Total formula weight | 114425.66 |
Authors | Fernandes, W.B.,Montanari, C.A.,Mckerrow, J.H. (deposition date: 2013-05-07, release date: 2013-09-18, Last modification date: 2023-09-20) |
Primary citation | Wiggers, H.J.,Rocha, J.R.,Fernandes, W.B.,Sesti-Costa, R.,Carneiro, Z.A.,Cheleski, J.,da Silva, A.B.,Juliano, L.,Cezari, M.H.,Silva, J.S.,McKerrow, J.H.,Montanari, C.A. Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay. Plos Negl Trop Dis, 7:e2370-e2370, 2013 Cited by PubMed: 23991231DOI: 10.1371/journal.pntd.0002370 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.62 Å) |
Structure validation
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