3PKQ
| Q83D Variant of S. Enterica RmlA with dGTP | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, Glucose-1-phosphate thymidylyltransferase, ... | Authors: | Chang, A, Moretti, R, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2010-11-11 | Release date: | 2011-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Expanding the Nucleotide and Sugar 1-Phosphate Promiscuity of Nucleotidyltransferase RmlA via Directed Evolution. J.Biol.Chem., 286, 2011
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3PKP
| Q83S Variant of S. Enterica RmlA with dATP | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Glucose-1-phosphate thymidylyltransferase, MAGNESIUM ION | Authors: | Chang, A, Moretti, R, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2010-11-11 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Expanding the Nucleotide and Sugar 1-Phosphate Promiscuity of Nucleotidyltransferase RmlA via Directed Evolution. J.Biol.Chem., 286, 2011
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4JXI
| Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, BROMIDE ION, GLYCEROL, ... | Authors: | Kuzin, A, Smith, M.D, Richter, F, Lew, S, Seetharaman, R, Bryan, C, Lech, Z, Kiss, G, Moretti, R, Maglaqui, M, Xiao, R, Kohan, E, Smith, M, Everett, J.K, Nguyen, R, Pande, V, Hilvert, D, Kornhaber, G, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-03-28 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184 To be Published
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2A83
| Crystal structure of hla-b*2705 complexed with the glucagon receptor (gr) peptide (residues 412-420) | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Ruckert, C, Fiorillo, M.T, Loll, B, Moretti, R, Biesiadka, J, Saenger, W, Ziegler, A, Sorrentino, R, Uchanska-Ziegler, B. | Deposit date: | 2005-07-07 | Release date: | 2005-12-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Conformational dimorphism of self-peptides and molecular mimicry in a disease-associated HLA-B27 subtype. J.Biol.Chem., 281, 2006
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6XBF
| Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1G | Descriptor: | BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1G | Authors: | Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1. Proc.Natl.Acad.Sci.USA, 118, 2021
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6XBE
| Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1F | Descriptor: | BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1F | Authors: | Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1. Proc.Natl.Acad.Sci.USA, 118, 2021
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6XCI
| Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-3D | Descriptor: | ACETATE ION, BlaNDM-4_1_JQ348841, CADMIUM ION, ... | Authors: | Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. | Deposit date: | 2020-06-08 | Release date: | 2021-03-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1. Proc.Natl.Acad.Sci.USA, 118, 2021
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8P0F
| Crystal structure of the VCB complex with compound 1. | Descriptor: | (3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide, CHLORIDE ION, Elongin-B, ... | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | Deposit date: | 2023-05-10 | Release date: | 2023-05-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Drugit: Crowd-sourcing molecular design of non-peptidic VHL binders Chemrxiv, 2023
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4RZT
| Lac repressor engineered to bind sucralose, sucralose-bound tetramer | Descriptor: | 4-chloro-4-deoxy-alpha-D-galactopyranose-(1-2)-1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose, Lac repressor | Authors: | Arbing, M.A, Cascio, D, Sawaya, M.R, Kosuri, S, Church, G.M. | Deposit date: | 2014-12-24 | Release date: | 2015-12-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Engineering an allosteric transcription factor to respond to new ligands. Nat.Methods, 13, 2016
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4RZS
| Lac repressor engineered to bind sucralose, unliganded tetramer | Descriptor: | GLYCEROL, Lac repressor | Authors: | Arbing, M.A, Cascio, D, Kosuri, S, Church, G.M. | Deposit date: | 2014-12-24 | Release date: | 2015-12-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Engineering an allosteric transcription factor to respond to new ligands. Nat.Methods, 13, 2016
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