6DV3
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![BU of 6dv3 by Molmil](/molmil-images/mine/6dv3) | Structure of the Salmonella SPI-1 type III secretion injectisome secretin InvG in the open gate state | Descriptor: | Protein InvG | Authors: | Hu, J, Worrall, L.J, Vuckovic, M, Atkinson, C.E, Strynadka, N.C.J. | Deposit date: | 2018-06-22 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM analysis of the T3S injectisome reveals the structure of the needle and open secretin. Nat Commun, 9, 2018
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6DFE
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![BU of 6dfe by Molmil](/molmil-images/mine/6dfe) | The structure of a ternary complex of E. coli WaaC | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, ADP-heptose--LPS heptosyltransferase, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R)-1-{(2S,3S,4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}propan-2-yl hydrogen (R)-phosphate (non-preferred name) | Authors: | Worrall, L.J, Blaukopf, M, Withers, S.G, Strynadka, N.C.J. | Deposit date: | 2018-05-14 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Insights into Heptosyltransferase I Catalysis and Inhibition through the Structure of Its Ternary Complex. Structure, 26, 2018
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1K0W
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![BU of 1k0w by Molmil](/molmil-images/mine/1k0w) | CRYSTAL STRUCTURE OF L-RIBULOSE-5-PHOSPHATE 4-EPIMERASE | Descriptor: | L-RIBULOSE 5 PHOSPHATE 4-EPIMERASE, ZINC ION | Authors: | Luo, Y, Samuel, J, Mosimann, S.C, Lee, J.E, Strynadka, N.C.J. | Deposit date: | 2001-09-21 | Release date: | 2003-01-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of L-ribulose-5-phosphate 4-epimerase: an aldolase-like platform for epimerization Biochemistry, 40, 2001
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7K08
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![BU of 7k08 by Molmil](/molmil-images/mine/7k08) | |
7KGN
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![BU of 7kgn by Molmil](/molmil-images/mine/7kgn) | S. Typhi YcbB - ertapenem complex | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, L,D-transpeptidase | Authors: | Caveney, N.A, Strynadka, N.C.J. | Deposit date: | 2020-10-18 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural and Cellular Insights into the l,d-Transpeptidase YcbB as a Therapeutic Target in Citrobacter rodentium, Salmonella Typhimurium, and Salmonella Typhi Infections. Antimicrob.Agents Chemother., 65, 2021
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7KHP
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![BU of 7khp by Molmil](/molmil-images/mine/7khp) | Acyl-enzyme intermediate structure of SARS-CoV-2 Mpro in complex with its C-terminal autoprocessing sequence. | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Lee, J, Worrall, L.J, Paetzel, M, Strynadka, N.C.J. | Deposit date: | 2020-10-21 | Release date: | 2020-10-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site. Nat Commun, 11, 2020
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7KGM
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![BU of 7kgm by Molmil](/molmil-images/mine/7kgm) | C. rodentium YcbB - ertapenem complex | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Putative exported protein | Authors: | Caveney, N.A, Strynadka, N.C.J. | Deposit date: | 2020-10-17 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and Cellular Insights into the l,d-Transpeptidase YcbB as a Therapeutic Target in Citrobacter rodentium, Salmonella Typhimurium, and Salmonella Typhi Infections. Antimicrob.Agents Chemother., 65, 2021
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7LBU
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![BU of 7lbu by Molmil](/molmil-images/mine/7lbu) | Crystal structure of the Propionibacterium acnes surface sialidase | Descriptor: | ACETATE ION, Exo-alpha-sialidase, PHOSPHATE ION | Authors: | Yu, A.C.Y, Volkers, G, Strynadka, N.C.J. | Deposit date: | 2021-01-08 | Release date: | 2021-12-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal structure of the Propionibacterium acnes surface sialidase, a drug target for P. acnes-associated diseases. Glycobiology, 32, 2022
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7LBV
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![BU of 7lbv by Molmil](/molmil-images/mine/7lbv) | Crystal structure of the Propionibacterium acnes surface sialidase in complex with Neu5Ac2en | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Exo-alpha-sialidase, PHOSPHATE ION | Authors: | Yu, A.C.Y, Volkers, G, Strynadka, N.C.J. | Deposit date: | 2021-01-09 | Release date: | 2021-12-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the Propionibacterium acnes surface sialidase, a drug target for P. acnes-associated diseases. Glycobiology, 32, 2022
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7JP1
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7LQ6
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![BU of 7lq6 by Molmil](/molmil-images/mine/7lq6) | CryoEM structure of Escherichia coli PBP1b | Descriptor: | Penicillin-binding protein 1B | Authors: | Caveney, N.A, Workman, S.D, Yan, R, Atkinson, C.E, Yu, Z, Strynadka, N.C.J. | Deposit date: | 2021-02-13 | Release date: | 2021-05-26 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | CryoEM structure of the antibacterial target PBP1b at 3.3 angstrom resolution. Nat Commun, 12, 2021
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7JOY
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![BU of 7joy by Molmil](/molmil-images/mine/7joy) | |
7K7K
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![BU of 7k7k by Molmil](/molmil-images/mine/7k7k) | |
7KCX
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![BU of 7kcx by Molmil](/molmil-images/mine/7kcx) | Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) mutant (R200L) in complex with cefoxitin | Descriptor: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ... | Authors: | Alexander, J.A.N, Strynadka, N.C.J. | Deposit date: | 2020-10-07 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus. J.Antimicrob.Chemother., 76, 2021
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7KCV
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7KCY
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![BU of 7kcy by Molmil](/molmil-images/mine/7kcy) | Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) with cefoxitin | Descriptor: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ... | Authors: | Alexander, J.A.N, Strynadka, N.C.J. | Deposit date: | 2020-10-07 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus. J.Antimicrob.Chemother., 76, 2021
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7TC5
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![BU of 7tc5 by Molmil](/molmil-images/mine/7tc5) | All Phe-Azurin variant - F15Y | Descriptor: | Azurin, COPPER (II) ION, NITRATE ION, ... | Authors: | Fedoretz-Maxwell, B.P, Worrall, L.J, Strynadka, N.C.J, Warren, J.J. | Deposit date: | 2021-12-22 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Impact of Second Coordination Sphere Methionine-Aromatic Interactions in Copper Proteins. Inorg.Chem., 61, 2022
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7TC6
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![BU of 7tc6 by Molmil](/molmil-images/mine/7tc6) | All Phe-Azurin variant - F15W | Descriptor: | Azurin, COPPER (II) ION, NITRATE ION | Authors: | Fedoretz-Maxwell, B.P, Worrall, L.J, Strynadka, N.C.J, Warren, J.J. | Deposit date: | 2021-12-22 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Impact of Second Coordination Sphere Methionine-Aromatic Interactions in Copper Proteins. Inorg.Chem., 61, 2022
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7UZ2
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![BU of 7uz2 by Molmil](/molmil-images/mine/7uz2) | Structure of beta-glycosidase from Sulfolobus solfataricus in complex with C5a-fluoro-valienide. | Descriptor: | (1R,2S,3R,4R)-5-fluoro-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol, Beta-galactosidase | Authors: | Danby, P.M, Jeong, A, Sim, L, Sweeney, R.P, Wardman, J.F, Geissner, A, Worrall, L.J, Strynadka, N.C.J, Withers, S.G. | Deposit date: | 2022-05-08 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Vinyl Halide-Modified Unsaturated Cyclitols are Mechanism-Based Glycosidase Inhibitors. Angew.Chem.Int.Ed.Engl., 62, 2023
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7UZ1
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![BU of 7uz1 by Molmil](/molmil-images/mine/7uz1) | Structure of beta-glycosidase from Sulfolobus solfataricus in complex with C5a-bromo-valienide. | Descriptor: | (1R,2S,3R,4R)-5-bromo-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol, 1,2-ETHANEDIOL, Beta-galactosidase | Authors: | Danby, P.M, Jeong, A, Sim, L, Sweeney, R.P, Wardman, J.F, Karimi, R, Geissner, A, Worrall, L.J, Strynadka, N.C.J, Withers, S.G. | Deposit date: | 2022-05-08 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Vinyl Halide-Modified Unsaturated Cyclitols are Mechanism-Based Glycosidase Inhibitors. Angew.Chem.Int.Ed.Engl., 62, 2023
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5TW4
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![BU of 5tw4 by Molmil](/molmil-images/mine/5tw4) | |
5TXI
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![BU of 5txi by Molmil](/molmil-images/mine/5txi) | Crystal structure of wild-type S. aureus penicillin binding protein 4 (PBP4) in complex with ceftobiprole | Descriptor: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Alexander, J.A.N, Strynadka, N.C.J. | Deposit date: | 2016-11-16 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus. J. Biol. Chem., 2018
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5TY2
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![BU of 5ty2 by Molmil](/molmil-images/mine/5ty2) | Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) in complex with nafcillin | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, Penicillin-binding protein 4, ... | Authors: | Alexander, J.A.N, Strynadka, N.C.J. | Deposit date: | 2016-11-18 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus. J. Biol. Chem., 2018
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5TW8
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![BU of 5tw8 by Molmil](/molmil-images/mine/5tw8) | |
1Y4Z
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![BU of 1y4z by Molmil](/molmil-images/mine/1y4z) | The crystal structure of Nitrate Reductase A, NarGHI, in complex with the Q-site inhibitor pentachlorophenol | Descriptor: | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | Authors: | Bertero, M.G, Rothery, R.A, Boroumand, N, Palak, M, Blasco, F, Ginet, N, Weiner, J.H, Strynadka, N.C.J. | Deposit date: | 2004-12-01 | Release date: | 2005-03-08 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Biochemical Characterization of a Quinol Binding Site of Escherichia coli Nitrate Reductase A J.Biol.Chem., 280, 2005
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