6XBE
Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1F
Summary for 6XBE
Entry DOI | 10.2210/pdb6xbe/pdb |
Related PRD ID | PRD_002397 |
Descriptor | BlaNDM-4_1_JQ348841, macrocycle inhibitor NDM1i-1F, ZINC ION, ... (4 entities in total) |
Functional Keywords | cyclic peptide, macrocycle inhibitor, antibiotic, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Klebsiella pneumoniae More |
Total number of polymer chains | 8 |
Total formula weight | 109764.05 |
Authors | Worrall, L.J.,Sun, T.,Mulligan, V.K.,Strynadka, N.C.J. (deposition date: 2020-06-05, release date: 2021-03-31, Last modification date: 2023-10-18) |
Primary citation | Mulligan, V.K.,Workman, S.,Sun, T.,Rettie, S.,Li, X.,Worrall, L.J.,Craven, T.W.,King, D.T.,Hosseinzadeh, P.,Watkins, A.M.,Renfrew, P.D.,Guffy, S.,Labonte, J.W.,Moretti, R.,Bonneau, R.,Strynadka, N.C.J.,Baker, D. Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1. Proc.Natl.Acad.Sci.USA, 118:-, 2021 Cited by PubMed: 33723038DOI: 10.1073/pnas.2012800118 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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