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7JLJ
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BU of 7jlj by Molmil
Crystal structure of Bacillus subtilis UppS in complex with clomiphene
Descriptor: Clomifene, Isoprenyl transferase
Authors:Workman, S.D, Strynadka, N.C.J.
Deposit date:2020-07-29
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
6W5Q
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BU of 6w5q by Molmil
Structure of the globular C-terminal domain of P. aeruginosa LpoP
Descriptor: Peptidoglycan synthase activator LpoP, SULFATE ION, TRIETHYLENE GLYCOL
Authors:Caveney, N.A, Robb, C.S, Simorre, J.P, Strynadka, N.C.J.
Deposit date:2020-03-13
Release date:2020-05-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Peptidoglycan Synthase Activator LpoP in Pseudomonas aeruginosa.
Structure, 28, 2020
6XFK
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BU of 6xfk by Molmil
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
6XFU
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BU of 6xfu by Molmil
PmtCD peptide exporter basket domain
Descriptor: ABC transporter ATP-binding protein, THIOCYANATE ION
Authors:Zeytuni, N, Strynadka, N.C.J, Alexander, J.A.N.
Deposit date:2020-06-16
Release date:2020-10-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural insight into the Staphylococcus aureus ATP-driven exporter of virulent peptide toxins
Sci Adv, 6, 2020
5TW4
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BU of 5tw4 by Molmil
Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) in complex with ceftaroline
Descriptor: CHLORIDE ION, Ceftaroline, bound form, ...
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2016-11-11
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
5TX9
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BU of 5tx9 by Molmil
Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) 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, Penicillin-binding protein 4, SODIUM ION, ...
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 (1.68 Å)
Cite:Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
6XFJ
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BU of 6xfj by Molmil
Crystal structure of the type III secretion pilotin InvH
Descriptor: CADMIUM ION, CHLORIDE ION, SODIUM ION, ...
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:2024-03-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods.
Structure, 29, 2021
5TXI
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BU of 5txi by Molmil
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
6XBF
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BU of 6xbf by Molmil
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
6XBE
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BU of 6xbe by Molmil
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
6XCI
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BU of 6xci by Molmil
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
6XHT
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BU of 6xht by Molmil
Crystal structure of S. aureus TarI in complex with CDP-ribitol (space group P1211)
Descriptor: CDP-ribitol, Ribitol-5-phosphate cytidylyltransferase 1, THIOCYANATE ION
Authors:Li, F.K.K, Strynadka, N.C.J.
Deposit date:2020-06-19
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of TarI and TarJ, a cytidylyltransferase and reductase pair for CDP-ribitol synthesis in Staphylococcus aureus wall teichoic acid biogenesis.
J.Struct.Biol., 213, 2021
6XH9
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BU of 6xh9 by Molmil
Crystal structure of S. aureus TarJ
Descriptor: Ribulose-5-phosphate reductase 1
Authors:Li, F.K.K, Strynadka, N.C.J.
Deposit date:2020-06-18
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystallographic analysis of TarI and TarJ, a cytidylyltransferase and reductase pair for CDP-ribitol synthesis in Staphylococcus aureus wall teichoic acid biogenesis.
J.Struct.Biol., 213, 2021
6XHK
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BU of 6xhk by Molmil
Crystal structure of S. aureus TarJ in complex with NADPH
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Ribulose-5-phosphate reductase 1
Authors:Li, F.K.K, Strynadka, N.C.J.
Deposit date:2020-06-18
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic analysis of TarI and TarJ, a cytidylyltransferase and reductase pair for CDP-ribitol synthesis in Staphylococcus aureus wall teichoic acid biogenesis.
J.Struct.Biol., 213, 2021
6XHP
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BU of 6xhp by Molmil
Crystal structure of S. aureus TarI (space group C121)
Descriptor: Ribitol-5-phosphate cytidylyltransferase 1, TETRAETHYLENE GLYCOL
Authors:Li, F.K.K, Strynadka, N.C.J.
Deposit date:2020-06-19
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic analysis of TarI and TarJ, a cytidylyltransferase and reductase pair for CDP-ribitol synthesis in Staphylococcus aureus wall teichoic acid biogenesis.
J.Struct.Biol., 213, 2021
6XHQ
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BU of 6xhq by Molmil
Crystal structure of S. aureus TarI in complex with CDP-ribitol (space group C121)
Descriptor: CDP-ribitol, Ribitol-5-phosphate cytidylyltransferase 1
Authors:Li, F.K.K, Strynadka, N.C.J.
Deposit date:2020-06-19
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic analysis of TarI and TarJ, a cytidylyltransferase and reductase pair for CDP-ribitol synthesis in Staphylococcus aureus wall teichoic acid biogenesis.
J.Struct.Biol., 213, 2021
6XHS
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BU of 6xhs by Molmil
Crystal structure of S. aureus TarI in complex with CTP (space group P1211)
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ribitol-5-phosphate cytidylyltransferase 1, ...
Authors:Li, F.K.K, Strynadka, N.C.J.
Deposit date:2020-06-19
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystallographic analysis of TarI and TarJ, a cytidylyltransferase and reductase pair for CDP-ribitol synthesis in Staphylococcus aureus wall teichoic acid biogenesis.
J.Struct.Biol., 213, 2021
6XHR
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BU of 6xhr by Molmil
Crystal structure of S. aureus TarI (space group P1211)
Descriptor: Ribitol-5-phosphate cytidylyltransferase 1, THIOCYANATE ION
Authors:Li, F.K.K, Strynadka, N.C.J.
Deposit date:2020-06-19
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic analysis of TarI and TarJ, a cytidylyltransferase and reductase pair for CDP-ribitol synthesis in Staphylococcus aureus wall teichoic acid biogenesis.
J.Struct.Biol., 213, 2021
2YK6
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BU of 2yk6 by Molmil
Structure of Neisseria LOS-specific sialyltransferase (NST), in complex with CDP.
Descriptor: CMP-N-ACETYLNEURAMINATE-BETA-GALACTOSAMIDE-ALPHA-2,3-SIALYLTRANSFERASE, CYTIDINE-5'-DIPHOSPHATE, PENTAETHYLENE GLYCOL, ...
Authors:Lin, L.Y.C, Rakic, B, Chiu, C.P.C, Lameignere, E, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J.
Deposit date:2011-05-25
Release date:2011-08-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure and Mechanism of the Lipooligosaccharide Sialyltransferase from Neisseria Meningitidis
J.Biol.Chem., 286, 2011
6XFL
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BU of 6xfl by Molmil
Structural characterization of the type III secretion system pilotin-secretin complex InvH-InvG by NMR spectroscopy
Descriptor: 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:2024-05-15
Method:SOLUTION NMR
Cite:Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods.
Structure, 29, 2021
5TY7
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BU of 5ty7 by Molmil
Crystal structure of wild-type S. aureus penicillin binding protein 4 (PBP4) 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, Penicillin-binding protein 4, SODIUM ION, ...
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 (1.894 Å)
Cite:Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
5TW8
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BU of 5tw8 by Molmil
Crystal structure of wild-type S. aureus penicillin binding protein 4 (PBP4) in complex with ceftaroline
Descriptor: Ceftaroline, bound form, Penicillin-binding protein 4, ...
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2016-11-11
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
5TY2
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BU of 5ty2 by Molmil
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
1K0W
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BU of 1k0w by Molmil
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
8CYU
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BU of 8cyu by Molmil
Crystal structure of SARS-CoV-2 Mpro with compound C5
Descriptor: 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide
Authors:Worrall, L.J, Lee, J, Strynadka, N.C.J.
Deposit date:2022-05-24
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023

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