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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1AQW
 | | GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE | | Authors: | Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W. | | Deposit date: | 1997-08-03 | | Release date: | 1998-03-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
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1A6E
 | | THERMOSOME-MG-ADP-ALF3 COMPLEX | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | | Authors: | Ditzel, L, Loewe, J, Stock, D, Stetter, K.-O, Huber, H, Huber, R, Steinbacher, S. | | Deposit date: | 1998-02-24 | | Release date: | 1999-03-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the thermosome, the archaeal chaperonin and homolog of CCT.
Cell(Cambridge,Mass.), 93, 1998
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1A6D
 | | THERMOSOME FROM T. ACIDOPHILUM | | Descriptor: | THERMOSOME (ALPHA SUBUNIT), THERMOSOME (BETA SUBUNIT) | | Authors: | Ditzel, L, Loewe, J, Stock, D, Stetter, K.-O, Huber, H, Huber, R, Steinbacher, S. | | Deposit date: | 1998-02-24 | | Release date: | 1999-03-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the thermosome, the archaeal chaperonin and homolog of CCT.
Cell(Cambridge,Mass.), 93, 1998
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8API
 | | THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-1 ANTITRYPSIN (CHAIN A), ... | | Authors: | Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R. | | Deposit date: | 1988-09-08 | | Release date: | 1990-10-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism.
Protein Eng., 2, 1989
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5JDW
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6TRW
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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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1ALL
 | | ALLOPHYCOCYANIN | | Descriptor: | ALLOPHYCOCYANIN, PHYCOCYANOBILIN | | Authors: | Brejc, K, Ficner, R, Huber, R, Steinbacher, S. | | Deposit date: | 1995-03-01 | | Release date: | 1996-07-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Isolation, crystallization, crystal structure analysis and refinement of allophycocyanin from the cyanobacterium Spirulina platensis at 2.3 A resolution.
J.Mol.Biol., 249, 1995
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6QZV
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1BD8
 | | STRUCTURE OF CDK INHIBITOR P19INK4D | | Descriptor: | P19INK4D CDK4/6 INHIBITOR | | Authors: | Baumgartner, R, Fernandez-Catalan, C, Winoto, A, Huber, R, Engh, R, Holak, T.A. | | Deposit date: | 1998-05-12 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of human cyclin-dependent kinase inhibitor p19INK4d: comparison to known ankyrin-repeat-containing structures and implications for the dysfunction of tumor suppressor p16INK4a.
Structure, 6, 1998
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6QZW
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1BVN
 | | PIG PANCREATIC ALPHA-AMYLASE IN COMPLEX WITH THE PROTEINACEOUS INHIBITOR TENDAMISTAT | | Descriptor: | CALCIUM ION, CHLORIDE ION, PROTEIN (ALPHA-AMYLASE), ... | | Authors: | Machius, M, Wiegand, G, Epp, O, Huber, R. | | Deposit date: | 1998-09-16 | | Release date: | 1998-09-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of porcine pancreatic alpha-amylase in complex with the microbial inhibitor Tendamistat.
J.Mol.Biol., 247, 1995
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1C9T
 | | COMPLEX OF BDELLASTASIN WITH BOVINE TRYPSIN | | Descriptor: | BDELLASTASIN, TRYPSIN | | Authors: | Rester, U, Bode, W, Moser, M, Parry, M.A, Huber, R, Auerswald, E. | | Deposit date: | 1999-08-03 | | Release date: | 2000-08-03 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of the complex of the antistasin-type inhibitor bdellastasin with trypsin and modelling of the bdellastasin-microplasmin system.
J.Mol.Biol., 293, 1999
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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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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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7A3F
 | | Crystal structure of apo DPP9 | | Descriptor: | Dipeptidyl peptidase 9, GLYCEROL, PHOSPHATE ION | | 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 (2.9 Å) | | Cite: | Discovery and Development of 4-Oxo-beta-Lactams as Novel Inhibitors of Dipeptidyl Peptidases 8 and 9
To Be Published
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6T41
 | | CDK8/Cyclin C in complex with N-(4-chlorobenzyl)isoquinolin-4-amine | | Descriptor: | 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... | | Authors: | Schneider, E.V, Maskos, K, Huber, R, Kuhn, C.-D. | | Deposit date: | 2019-10-11 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A precisely positioned MED12 activation helix stimulates CDK8 kinase activity.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7A3I
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7A3K
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1AQX
 | | GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH MEISENHEIMER COMPLEX | | Descriptor: | 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE | | Authors: | Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W. | | Deposit date: | 1997-08-03 | | Release date: | 1998-03-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
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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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