8CZ7
| Crystal structure of SARS-CoV-2 Mpro with compound C2 | Descriptor: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)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 (2 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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8CYZ
| Crystal structure of SARS-CoV-2 Mpro with compound C4 | Descriptor: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]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 (1.9 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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8CZ4
| Crystal structure of SARS-CoV-2 Mpro with compound C3 | Descriptor: | 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-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 (2.1 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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8DRT
| Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp6-nsp7 (C6) cut site sequence (form 2) | Descriptor: | 3C-like proteinase nsp5 | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | Deposit date: | 2022-07-21 | Release date: | 2022-09-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
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8DRW
| Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp9-nsp10 (C9) cut site sequence | Descriptor: | DI(HYDROXYETHYL)ETHER, Fusion protein of 3C-like proteinase nsp5 and nsp9-nsp10 (C9) cut site, PENTAETHYLENE GLYCOL, ... | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | Deposit date: | 2022-07-21 | Release date: | 2022-09-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
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8DRR
| Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp4-nsp5 (C4) cut site sequence | Descriptor: | 3C-like proteinase nsp5, SODIUM ION | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | Deposit date: | 2022-07-21 | Release date: | 2022-09-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
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8DRU
| Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp7-nsp8 (C7) cut site sequence | Descriptor: | DI(HYDROXYETHYL)ETHER, Fusion protein of 3C-like proteinase nsp5 and nsp7-nsp8 (C7) cut site, PENTAETHYLENE GLYCOL, ... | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | Deposit date: | 2022-07-21 | Release date: | 2022-09-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
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8DRV
| Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp8-nsp9 (C8) cut site sequence | Descriptor: | Fusion protein of 3C-like proteinase nsp5 and nsp8-nsp9 (C8) cut site, PENTAETHYLENE GLYCOL | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | Deposit date: | 2022-07-21 | Release date: | 2022-09-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
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8DRY
| Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp12-nsp13 (C12) cut site sequence | Descriptor: | DI(HYDROXYETHYL)ETHER, Fusion protein of 3C-like proteinase nsp5 and nsp12-nsp13 (C12) cut site | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | Deposit date: | 2022-07-21 | Release date: | 2022-09-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
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8DS0
| Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp14-nsp15 (C14) cut site sequence (form 2) | Descriptor: | 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | Deposit date: | 2022-07-21 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
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8DRZ
| Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp13-nsp14 (C13) cut site sequence | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ... | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | Deposit date: | 2022-07-21 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
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8DS2
| Structure of SARS-CoV-2 Mpro in complex with the nsp13-nsp14 (C13) cut site sequence (form 2) | Descriptor: | 3C-like proteinase nsp5, GLYCEROL, SODIUM ION | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | Deposit date: | 2022-07-21 | Release date: | 2022-09-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
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8DS1
| Structure of SARS-CoV-2 Mpro in complex with nsp12-nsp13 (C12) cut site sequence | Descriptor: | 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, SODIUM ION | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | Deposit date: | 2022-07-21 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
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8DRX
| Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp10-nsp11 (C10) cut site sequence (form 2) | Descriptor: | Fusion protein of 3C-like proteinase nsp5 and nsp10-nsp11 (C10) cut site, SODIUM ION | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | Deposit date: | 2022-07-21 | Release date: | 2022-09-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
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8DRS
| Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp6-nsp7 (C6) cut site sequence | Descriptor: | 3C-like proteinase nsp5 | Authors: | Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J. | Deposit date: | 2022-07-21 | Release date: | 2022-09-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation. Nat Commun, 13, 2022
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8EXP
| Cryo-EM structure of S. aureus BlaR1 with C2 symmetry | Descriptor: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | Authors: | Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J. | Deposit date: | 2022-10-25 | Release date: | 2023-01-11 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus. Nature, 613, 2023
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8EXS
| Cryo-EM structure of S. aureus BlaR1 F284A mutant | Descriptor: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | Authors: | Alexander, J.A.N, Hu, J, Worrall, L.J, Strynadka, N.C.J. | Deposit date: | 2022-10-25 | Release date: | 2023-01-11 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus. Nature, 613, 2023
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8EXR
| Cryo-EM structure of S. aureus BlaR1 TM and zinc metalloprotease domain | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Beta-lactam sensor/signal transducer BlaR1, PHOSPHATE ION, ... | Authors: | Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J. | Deposit date: | 2022-10-25 | Release date: | 2023-01-11 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus. Nature, 613, 2023
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8EXT
| Cryo-EM structure of S. aureus BlaR1 F284A mutant in complex with ampicillin | Descriptor: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | Authors: | Alexander, J.A.N, Hu, J, Worrall, L.J, Strynadka, N.C.J. | Deposit date: | 2022-10-25 | Release date: | 2023-01-11 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus. Nature, 613, 2023
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8EXQ
| Cryo-EM structure of S. aureus BlaR1 with C1 symmetry | Descriptor: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | Authors: | Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J. | Deposit date: | 2022-10-25 | Release date: | 2023-01-11 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus. Nature, 613, 2023
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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
| 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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2WQP
| Crystal structure of sialic acid synthase NeuB-inhibitor complex | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, 5-(ACETYLAMINO)-3,5-DIDEOXY-2-O-PHOSPHONO-D-ERYTHRO-L-MANNO-NONONIC ACID, ... | Authors: | Liu, F, Lee, H.J, Strynadka, N.C.J, Tanner, M.E. | Deposit date: | 2009-08-25 | Release date: | 2009-09-15 | Last modified: | 2011-10-12 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Inhibition of Neisseria Meningitidis Sialic Acid Synthase by a Tetrahedral Intermediate Analog. Biochemistry, 48, 2009
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2WLD
| Crystallographic analysis of the polysialic acid O-acetyltransferase OatWY | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, POLYSIALIC ACID O-ACETYLTRANSFERASE | Authors: | Lee, H.J, Rakic, B, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | Deposit date: | 2009-06-23 | Release date: | 2009-07-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Kinetic Characterizations of the Polysialic Acid O-Acetyltransferase Oatwy from Neisseria Meningitidis. J.Biol.Chem., 284, 2009
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2WLF
| Crystallographic analysis of the polysialic acid O-acetyltransferase OatWY | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ACETYL COENZYME *A, ... | Authors: | Lee, H.J, Rakic, B, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | Deposit date: | 2009-06-23 | Release date: | 2009-06-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and Kinetic Characterizations of the Polysialic Acid O-Acetyltransferase Oatwy from Neisseria Meningitidis. J.Biol.Chem., 284, 2009
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