7V0J
 
 | | Crystal structure of a CelR catalytic domain active site mutant with bound cellobiose product | | Descriptor: | CALCIUM ION, Glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Bingman, C.A, Kuch, N, Kutsche, M.E, Parker, A, Smith, R.W, Fox, B.G. | | Deposit date: | 2022-05-10 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Contribution of calcium ligands in substrate binding and product release in the Acetovibrio thermocellus glycoside hydrolase family 9 cellulase CelR.
J.Biol.Chem., 299, 2023
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7V0I
 | | Crystal structure of a CelR catalytic domain active site mutant with bound cellohexaose substrate | | Descriptor: | CALCIUM ION, Glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Bingman, C.A, Kuch, N, Kutsche, M.E, Parker, A, Smith, R.W, Fox, B.G. | | Deposit date: | 2022-05-10 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Contribution of calcium ligands in substrate binding and product release in the Acetovibrio thermocellus glycoside hydrolase family 9 cellulase CelR.
J.Biol.Chem., 299, 2023
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7UNP
 | | Crystal structure of the CelR catalytic domain and CBM3c | | Descriptor: | CALCIUM ION, Glucanase | | Authors: | Bingman, C.A, Kuch, N, Kutsche, M.E, Parker, A, Smith, R.W, Fox, B.G. | | Deposit date: | 2022-04-11 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Contribution of calcium ligands in substrate binding and product release in the Acetovibrio thermocellus glycoside hydrolase family 9 cellulase CelR.
J.Biol.Chem., 299, 2023
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9CYK
 | | SARS-CoV-2 PLpro in complex with inhibitor WEHI-P24 | | Descriptor: | ACETIC ACID, GLYCEROL, Papain-like protease, ... | | Authors: | Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchell, J.P, Lessene, G, Komander, D. | | Deposit date: | 2024-08-02 | | Release date: | 2025-04-09 | | Last modified: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
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9CYB
 | | SARS-CoV-2 PLpro in complex with inhibitor WEHI-P1 | | Descriptor: | Papain-like protease, SUCCINIC ACID, [(3R)-1-cyclopentylpiperidin-3-yl](6-methoxynaphthalen-2-yl)methanone | | Authors: | Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchell, J.P, Lessene, G, Komander, D. | | Deposit date: | 2024-08-01 | | Release date: | 2025-04-09 | | Last modified: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
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9CYD
 | | SARS-CoV-2 PLpro in complex with inhibitor WEHI-P4 | | Descriptor: | (1S,4s)-4-{(3R)-3-[(E)-(methoxyimino)(6-methoxynaphthalen-2-yl)methyl]piperidin-1-yl}cyclohexan-1-ol, CHLORIDE ION, Papain-like protease, ... | | Authors: | Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchell, J.P, Lessene, G, Komander, D. | | Deposit date: | 2024-08-02 | | Release date: | 2025-04-09 | | Last modified: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
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9CYC
 | | SARS-CoV-2 PLpro in complex with inhibitor WEHI-P2 | | Descriptor: | (E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine, ACETIC ACID, GLYCEROL, ... | | Authors: | Calleja, D.J, Lechtenberg, B.C, Kuchel, N.W, Devine, S.M, Bader, S.M, Doerflinger, M, Mitchel, J.P, Lessene, G, Komander, D. | | Deposit date: | 2024-08-01 | | Release date: | 2025-04-09 | | Last modified: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A novel PLpro inhibitor improves outcomes in a pre-clinical model of long COVID.
Nat Commun, 16, 2025
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7TZJ
 | | SARS CoV-2 PLpro in complex with inhibitor 3k | | Descriptor: | DIMETHYL SULFOXIDE, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Papain-like protease, ... | | Authors: | Calleja, D.J, Klemm, T, Lechtenberg, B.C, Kuchel, N.W, Lessene, G, Komander, D. | | Deposit date: | 2022-02-15 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors.
Front Chem, 10, 2022
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3WHO
 | | X-ray-Crystallographic Structure of an RNase Po1 Exhibiting Anti-tumor Activity | | Descriptor: | Guanyl-specific ribonuclease Po1 | | Authors: | Kobayashi, H, Katsurtani, T, Hara, Y, Motoyoshi, N, Itagaki, T, Akita, F, Higashiura, A, Yamada, Y, Suzuki, M, Inokuchi, N. | | Deposit date: | 2013-08-30 | | Release date: | 2014-07-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | X-ray crystallographic structure of RNase Po1 that exhibits anti-tumor activity.
Biol.Pharm.Bull., 37, 2014
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