6TWA
| Human CD73 (ecto 5'-nucleotidase) in complex with PSB12646 (an AOPCP derivative, compound 20 in publication) in the closed state | Descriptor: | 5'-nucleotidase, CALCIUM ION, ZINC ION, ... | Authors: | Pippel, J, Strater, N. | Deposit date: | 2020-01-12 | Release date: | 2020-02-19 | Last modified: | 2020-04-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63, 2020
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6TWF
| Human CD73 (ecto 5'-nucleotidase) in complex with PSB12604 (an AOPCP derivative, compound 21 in publication) in the closed state | Descriptor: | 5'-nucleotidase, CALCIUM ION, ZINC ION, ... | Authors: | Pippel, J, Strater, N. | Deposit date: | 2020-01-13 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63, 2020
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6TW0
| Human CD73 (ecto 5'-nucleotidase) in complex with PSB12690 (an AOPCP derivative, compound 10 in publication) in the closed state | Descriptor: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | Authors: | Pippel, J, Strater, N. | Deposit date: | 2020-01-10 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63, 2020
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6TVX
| Human CD73 (ecto 5'-nucleotidase) in complex with PSB12676 (an AOPCP derivative, compound 9 in paper) in the closed state | Descriptor: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | Authors: | Pippel, J, Strater, N. | Deposit date: | 2020-01-10 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes. J.Med.Chem., 63, 2020
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3O5B
| Crystal structure of dimeric KlHxk1 in crystal form VII with glucose bound (open state) | Descriptor: | Hexokinase, SULFATE ION, beta-D-glucopyranose | Authors: | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | Deposit date: | 2010-07-28 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION. J.Biol.Chem., 285, 2010
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3CJ9
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3O08
| Crystal structure of dimeric KlHxk1 in crystal form I | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Hexokinase, SULFATE ION | Authors: | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | Deposit date: | 2010-07-19 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION. J.Biol.Chem., 285, 2010
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3O4W
| Crystal structure of dimeric KlHxk1 in crystal form IV | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Hexokinase, ... | Authors: | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | Deposit date: | 2010-07-27 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION. J.Biol.Chem., 285, 2010
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3O8M
| Crystal structure of monomeric KlHxk1 in crystal form XI with glucose bound (closed state) | Descriptor: | CHLORIDE ION, Hexokinase, alpha-D-glucopyranose, ... | Authors: | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | Deposit date: | 2010-08-03 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION. J.Biol.Chem., 285, 2010
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3CJ7
| Structure of Rattus norvegicus NTPDase2 in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Ectonucleoside triphosphate diphosphohydrolase 2 | Authors: | Zebisch, M, Strater, N. | Deposit date: | 2008-03-12 | Release date: | 2008-04-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insight into signal conversion and inactivation by NTPDase2 in purinergic signaling Proc.Natl.Acad.Sci.Usa, 105, 2008
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3CJ1
| Structure of Rattus norvegicus NTPDase2 | Descriptor: | Ectonucleoside triphosphate diphosphohydrolase 2 | Authors: | Zebisch, M, Strater, N. | Deposit date: | 2008-03-12 | Release date: | 2008-04-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insight into signal conversion and inactivation by NTPDase2 in purinergic signaling Proc.Natl.Acad.Sci.Usa, 105, 2008
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3CJA
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3O1B
| CRYSTAL STRUCTURE OF DIMERIC KLHXK1 IN CRYSTAL FORM II | Descriptor: | Hexokinase | Authors: | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | Deposit date: | 2010-07-21 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION. J.Biol.Chem., 285, 2010
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3O1W
| Crystal structure of dimeric KlHxk1 in crystal form III | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Hexokinase, ... | Authors: | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | Deposit date: | 2010-07-22 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION. J.Biol.Chem., 285, 2010
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3O6W
| Crystal structure of monomeric KlHxk1 in crystal form VIII (open state) | Descriptor: | GLYCEROL, Hexokinase, PHOSPHATE ION | Authors: | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | Deposit date: | 2010-07-29 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION. J.Biol.Chem., 285, 2010
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3O80
| Crystal structure of monomeric KlHxk1 in crystal form IX (open state) | Descriptor: | Hexokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | Deposit date: | 2010-08-02 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION. J.Biol.Chem., 285, 2010
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4A5B
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4OKF
| RNase S in complex with an artificial peptide | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION | Authors: | Genz, M, Strater, N. | Deposit date: | 2014-01-22 | Release date: | 2015-03-04 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | X-ray structure of a RNase S variant in complex with an artificial peptide To be Published
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4O36
| Semisynthetic RNase S1-15-H7/11-Q10 | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, S-peptide, ... | Authors: | Genz, M, Strater, N. | Deposit date: | 2013-12-18 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | An Artificial Imine Reductase based on the Ribonuclease S scaffold Chem.Cat.Chem, 2014
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4O37
| seminsynthetic RNase S1-15-3Pl-7/11 | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, S-peptide, ... | Authors: | Genz, M, Strater, N. | Deposit date: | 2013-12-18 | Release date: | 2014-05-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Artificial Imine Reductase based on the Ribonuclease S Scaffold Chem.Cat.Chem, 2014
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4JAX
| Crystal structure of dimeric KlHxk1 in crystal form X | Descriptor: | GLYCEROL, Hexokinase, PHOSPHATE ION | Authors: | Kuettner, E.B, Strater, N, Kettner, K, Otto, A, Lilie, H, Golbik, R.P, Kriegel, T.M. | Deposit date: | 2013-02-19 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | In vivo phosphorylation and in vitro autophosphorylation-inactivation of Kluyveromyces lactis hexokinase KlHxk1. Biochem.Biophys.Res.Commun., 435, 2013
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4JEP
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4KH5
| Toxoplasma gondii NTPDase1 C258S/C268S in complex with Mg and AMPNP | Descriptor: | 5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine, MAGNESIUM ION, Nucleoside-triphosphatase 2 | Authors: | Krug, U, Totzauer, R, Strater, N. | Deposit date: | 2013-04-30 | Release date: | 2013-11-06 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The ATP/ADP substrate specificity switch between Toxoplasma gondii NTPDase1 and NTPDase3 is caused by an altered mode of binding of the substrate base. Chembiochem, 14, 2013
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4KH4
| Toxoplasma gondii NTPDase1 C258S/C268S in complex with Mg and AMPPNP | Descriptor: | MAGNESIUM ION, Nucleoside-triphosphatase 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Krug, U, Totzauer, R, Strater, N. | Deposit date: | 2013-04-30 | Release date: | 2013-11-06 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The ATP/ADP substrate specificity switch between Toxoplasma gondii NTPDase1 and NTPDase3 is caused by an altered mode of binding of the substrate base. Chembiochem, 14, 2013
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4KH6
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