5LK0
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8EH1
| Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with 4-hydroxyquinoline | Descriptor: | 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, Engineered tyrosine synthase (TmTyrS1), POTASSIUM ION, ... | Authors: | Porter, N.J, Almhjell, P.J, Arnold, F.H. | Deposit date: | 2022-09-13 | Release date: | 2023-10-04 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The beta-subunit of tryptophan synthase is a latent tyrosine synthase. Nat.Chem.Biol., 20, 2024
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6XD7
| KPC-2 N170A mutant bound to hydrolyzed ampicillin at 1.65 A | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2020-06-10 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate. J.Biol.Chem., 296, 2020
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8F5I
| SARS-CoV-2 S2 helix epitope scaffold bound by antibody DH1057.1 | Descriptor: | DH1057.1 HC, DH1057.1 LC, Specialized acyl carrier protein, ... | Authors: | Kapingidza, A.B, Wrapp, D, Winters, K, Azoitei, M.L. | Deposit date: | 2022-11-14 | Release date: | 2023-10-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Engineered immunogens to elicit antibodies against conserved coronavirus epitopes. Nat Commun, 14, 2023
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6XE1
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8EJX
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8P4U
| Alpha-1-antitrypsin - Sydney variant (G192C) | Descriptor: | Alpha-1-antitrypsin | Authors: | Kamuda, K, Lomas, D.A, Irving, J.A. | Deposit date: | 2023-05-23 | Release date: | 2024-04-03 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A novel pathological mutant reveals the role of torsional flexibility in the serpin breach in adoption of an aggregation-prone intermediate. Febs J., 291, 2024
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8ERI
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7UKA
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6XFK
| Crystal structure of the type III secretion system pilotin-secretin complex InvH-InvG | Descriptor: | SULFATE ION, Type 3 secretion system pilotin, Type 3 secretion system secretin | Authors: | Majewski, D.D, Okon, M, Heinkel, F, Robb, C.S, Vuckovic, M, McIntosh, L.P, Strynadka, N.C.J. | Deposit date: | 2020-06-15 | Release date: | 2020-09-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods. Structure, 29, 2021
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7UP2
| NDM1-inhibitor co-structure | Descriptor: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | Authors: | Scapin, G, Fischmann, T.O. | Deposit date: | 2022-04-14 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
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8OZ4
| Populus tremula stable protein 1 with an alternate crystal lattice | Descriptor: | Stable protein 1 | Authors: | Sklyar, J, Zeibaq, Y, Bachar, O, Yehezkeli, O, Adir, N. | Deposit date: | 2023-05-08 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A Bioengineered Stable Protein 1-Hemin Complex with Enhanced Peroxidase-Like Catalytic Properties Small Science, 2024
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7UM8
| Crystal structure of E. Coli FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide | Descriptor: | (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hajian, B. | Deposit date: | 2022-04-06 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections Acs Cent.Sci., 8, 2022
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8ONP
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6XFU
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7UMY
| Crystal structure of Acinetobacter baumannii FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide) | Descriptor: | (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hajian, B. | Deposit date: | 2022-04-08 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections Acs Cent.Sci., 8, 2022
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8EZZ
| SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a2 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-11-01 | Release date: | 2023-10-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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5LFQ
| Crystal Structure of the Bacterial Proteasome Activator Bpa of Mycobacterium tuberculosis (space group P3) | Descriptor: | Bacterial proteasome activator | Authors: | Bolten, M, Delley, C.L, Leibundgut, M, Boehringer, D, Ban, N, Weber-Ban, E. | Deposit date: | 2016-07-04 | Release date: | 2016-11-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.503 Å) | Cite: | Structural Analysis of the Bacterial Proteasome Activator Bpa in Complex with the 20S Proteasome. Structure, 24, 2016
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8OZS
| Populus tremula stable protein 1 with N-terminal binding peptide extension with hemin | Descriptor: | Stable protein 1 | Authors: | Sklyar, J, Zeibaq, Y, Bachar, O, Yehezkeli, O, Adir, N. | Deposit date: | 2023-05-09 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Bioengineered Stable Protein 1-Hemin Complex with Enhanced Peroxidase-Like Catalytic Properties Small Science, 2023
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8EGY
| Engineered holo tyrosine synthase (TmTyrS1) derived from T. maritima TrpB | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Porter, N.J, Almhjell, P.J, Arnold, F.H. | Deposit date: | 2022-09-13 | Release date: | 2023-10-04 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The beta-subunit of tryptophan synthase is a latent tyrosine synthase. Nat.Chem.Biol., 20, 2024
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5LSF
| Sacbrood honeybee virus | Descriptor: | CALCIUM ION, VP1, VP2, ... | Authors: | Plevka, P, Veselikova, M. | Deposit date: | 2016-08-26 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Virion structure and genome delivery mechanism of sacbrood honeybee virus. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8EL0
| Structure of MBP-Mcl-1 in complex with a macrocyclic compound | Descriptor: | (7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Judge, R.A, Judd, A.S, Souers, A.J. | Deposit date: | 2022-09-22 | Release date: | 2023-10-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.917 Å) | Cite: | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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7UVS
| Pfs230 domain 1 bound by LMIV230-02 Fab | Descriptor: | Gametocyte surface protein P230, LMIV230-02 Fab heavy chain, LMIV230-02 Fab light chain, ... | Authors: | Ivanochko, D, Julien, J.P. | Deposit date: | 2022-05-02 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230. Immunity, 56, 2023
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6XG7
| 1.3 A Resolution Structure of the of the NHL Repeat Region of D. melanogaster Thin | Descriptor: | SULFATE ION, TETRAETHYLENE GLYCOL, Thin, ... | Authors: | Kashipathy, M.M, Lovell, S, Battaile, K.P, Bawa, S, Geisbrecht, E.R. | Deposit date: | 2020-06-17 | Release date: | 2020-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Costameric integrin and sarcoglycan protein levels are altered in a Drosophila model for Limb-girdle muscular dystrophy type 2H. Mol.Biol.Cell, 32, 2021
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8F5H
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