7NVQ
| Aerosol-soaked human cdk2 crystals with Staurosporine | Descriptor: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, STAUROSPORINE | Authors: | Ross, B, Huber, R. | Deposit date: | 2021-03-15 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Aerosol-based ligand soaking of reservoir-free protein crystals. J.Appl.Crystallogr., 54, 2021
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6TRW
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2J06
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2J05
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7ZXS
| Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295 | Descriptor: | 1,2-ETHANEDIOL, 2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ross, B, Huber, R. | Deposit date: | 2022-05-22 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9. Angew.Chem.Int.Ed.Engl., 61, 2022
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7AYQ
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7OR4
| Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B142 | Descriptor: | Dipeptidyl peptidase 8, methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate, trimethylamine oxide | Authors: | Ross, B, Huber, R. | Deposit date: | 2021-06-04 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9. Angew.Chem.Int.Ed.Engl., 61, 2022
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7OZ7
| Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, L84 | Descriptor: | Dipeptidyl peptidase 8, trimethylamine oxide, ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide | Authors: | Ross, B, Huber, R. | Deposit date: | 2021-06-26 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9. Angew.Chem.Int.Ed.Engl., 61, 2022
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6QZV
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6QZW
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6EYF
| Butyrylcolinesterase expressed in CHO cells co-crystallised with a rivastigmine analogue | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, GLYCEROL, ... | Authors: | Brazzolotto, X, De la Mora, E, Dighe, S, Ross, B. | Deposit date: | 2017-11-12 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model Commun Chem, 2019
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6EUE
| Rivastigmine analogue bound to Tc ACHE. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, PENTAETHYLENE GLYCOL | Authors: | De la Mora, E, Brazzolotto, X, Dighe, S.N, Silman, I, Weik, M, Ross, B. | Deposit date: | 2017-10-30 | Release date: | 2018-11-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model Commun Chem, 2019
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6TRX
| Crystal structure of DPP8 in complex with 1G244 | Descriptor: | (2~{S})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione, Dipeptidyl peptidase 8, PHOSPHATE ION, ... | Authors: | Ross, B.H, Huber, R. | Deposit date: | 2019-12-19 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Aerosol-based ligand soaking of reservoir-free protein crystals. J.Appl.Crystallogr., 54, 2021
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6EOP
| DPP8 - SLRFLYEG, space group 20 | Descriptor: | CALCIUM ION, CITRATE ANION, Dipeptidyl peptidase 8, ... | Authors: | Ross, B.R, Huber, R. | Deposit date: | 2017-10-10 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures and mechanism of dipeptidyl peptidases 8 and 9, important players in cellular homeostasis and cancer. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6EOT
| DPP8 - SLRFLYEG, space group 19 | Descriptor: | Dipeptidyl peptidase 8, SER-LEU-ARG-PHE-LEU-TYR-GLU-GLY | Authors: | Ross, B.R, Huber, R. | Deposit date: | 2017-10-10 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structures and mechanism of dipeptidyl peptidases 8 and 9, important players in cellular homeostasis and cancer. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6EOO
| DPP8 - Apo, space group 20 | Descriptor: | Dipeptidyl peptidase 8 | Authors: | Ross, B.R, Huber, R. | Deposit date: | 2017-10-10 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures and mechanism of dipeptidyl peptidases 8 and 9, important players in cellular homeostasis and cancer. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6EOR
| DPP9 - 1G244 | Descriptor: | (2~{S})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione, Dipeptidyl peptidase 9 | Authors: | Ross, B.R, Huber, R. | Deposit date: | 2017-10-10 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures and mechanism of dipeptidyl peptidases 8 and 9, important players in cellular homeostasis and cancer. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6EOS
| DPP8 - Apo, space group 19 | Descriptor: | Dipeptidyl peptidase 8 | Authors: | Ross, B.R, Huber, R. | Deposit date: | 2017-10-10 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures and mechanism of dipeptidyl peptidases 8 and 9, important players in cellular homeostasis and cancer. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6EOQ
| DPP9 - Apo | Descriptor: | Dipeptidyl peptidase 9 | Authors: | Ross, B.R, Huber, R. | Deposit date: | 2017-10-10 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures and mechanism of dipeptidyl peptidases 8 and 9, important players in cellular homeostasis and cancer. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7AYR
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7A3G
| Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, 91 | Descriptor: | 1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione, CHLORIDE ION, Dipeptidyl peptidase 8, ... | Authors: | Ross, B.H, Huber, R. | Deposit date: | 2020-08-18 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9. Angew.Chem.Int.Ed.Engl., 2022
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7A3J
| Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, A272 | Descriptor: | 2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide, CHLORIDE ION, Dipeptidyl peptidase 8, ... | Authors: | Ross, B.H, Huber, R. | Deposit date: | 2020-08-18 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9. Angew.Chem.Int.Ed.Engl., 2022
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7A3L
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2J4R
| Structural Study of the Aquifex aeolicus PPX-GPPA enzyme | Descriptor: | EXOPOLYPHOSPHATASE, GUANOSINE-5',3'-TETRAPHOSPHATE | Authors: | Kristensen, O. | Deposit date: | 2006-09-05 | Release date: | 2007-10-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structure of the Ppx/Gppa Phosphatase from Aquifex Aeolicus in Complex with the Alarmone Ppgpp J.Mol.Biol., 375, 2008
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