1Q1P
 
 | | E-Cadherin activation | | Descriptor: | CALCIUM ION, Epithelial-cadherin | | Authors: | Haussinger, D, Stetefeld, J. | | Deposit date: | 2003-07-22 | | Release date: | 2004-04-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Proteolytic E-cadherin activation followed by solution NMR and X-ray crystallography.
Embo J., 23, 2004
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2MOV
 | | Receptor for Advanced Glycation End Products (RAGE) Specifically Recognizes Methylglyoxal Derived AGEs. | | Descriptor: | Advanced glycosylation end product-specific receptor, N~5~-[(5R)-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-L-ornithine | | Authors: | Shekhtman, A, Xue, J, Ray, R, Singer, D, Bohme, D, Burz, D.S, Rai, V, Hoffman, R. | | Deposit date: | 2014-05-05 | | Release date: | 2014-06-25 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | The Receptor for Advanced Glycation End Products (RAGE) Specifically Recognizes Methylglyoxal-Derived AGEs.
Biochemistry, 53, 2014
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2L7U
 | | Structure of CEL-PEP-RAGE V domain complex | | Descriptor: | Advanced glycosylation end product-specific receptor, Serum albumin peptide | | Authors: | Xue, J, Rai, V, Schmidt, A, Frolov, S, Reverdatto, S, Singer, D, Chabierski, S, Xie, J, Burz, D, Shekhtman, A, Hoffman, R. | | Deposit date: | 2010-12-23 | | Release date: | 2011-05-18 | | Last modified: | 2023-11-29 | | Method: | SOLUTION NMR | | Cite: | Advanced glycation end product recognition by the receptor for AGEs.
Structure, 19, 2011
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5BRW
 | | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | | Descriptor: | ACETATE ION, Carbonic anhydrase 2, SULFATE ION, ... | | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | | Deposit date: | 2015-06-01 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
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5BRV
 | | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | | Descriptor: | Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride | | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | | Deposit date: | 2015-06-01 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
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5BRU
 | | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | | Descriptor: | Carbonic anhydrase 2, SULFATE ION, ZINC ION, ... | | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | | Deposit date: | 2015-06-01 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
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2V37
 | | Solution structure of the N-terminal extracellular domain of human T- cadherin | | Descriptor: | CADHERIN-13 | | Authors: | Dames, S.A, Bang, E.J, Ahrens, T, Haeussinger, D, Grzesiek, S. | | Deposit date: | 2007-06-13 | | Release date: | 2008-06-10 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Insights into the low adhesive capacity of human T-cadherin from the NMR structure of Its N-terminal extracellular domain.
J. Biol. Chem., 283, 2008
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2N1T
 | | Dynamic binding mode of a synaptotagmin-1-SNARE complex in solution | | Descriptor: | Synaptosomal-associated protein 25, Synaptotagmin-1, Syntaxin-1A, ... | | Authors: | Brewer, K, Bacaj, T, Cavalli, A, Camilloni, C, Swarbrick, J, Liu, J, Zhou, A, Zhou, P, Barlow, N, Xu, J, Seven, A, Prinslow, E, Voleti, R, Haussinger, D, Bonvin, A, Tomchick, D, Vendruscolo, M, Graham, B, Sudhof, T, Rizo, J. | | Deposit date: | 2015-04-21 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Dynamic binding mode of a Synaptotagmin-1-SNARE complex in solution.
Nat.Struct.Mol.Biol., 22, 2015
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1SP7
 | | Structure of the Cys-rich C-terminal domain of Hydra minicollagen | | Descriptor: | mini-collagen | | Authors: | Meier, S, Haussinger, D, Pokidysheva, E, Bachinger, H.P, Grzesiek, S. | | Deposit date: | 2004-03-16 | | Release date: | 2004-05-18 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Determination of a high-precision NMR structure of the minicollagen cysteine rich domain from Hydra and characterization of its disulfide bond formation.
Febs Lett., 569, 2004
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4K7L
 | | Crystal structure of RNase S variant (K7C/Q11C) | | Descriptor: | Ribonuclease pancreatic, SULFATE ION | | Authors: | Genz, M, Straeter, N. | | Deposit date: | 2013-04-17 | | Release date: | 2014-05-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Crystal structure of RNase S with a [Hg(Cys2)] metal center in the S-peptide as a template for structure-based design of artificial metalloenzymes using peptide-protein complementation
To be Published
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4K7M
 | | Crystal structure of RNase S variant (K7C/Q11C) with bound mercury ions | | Descriptor: | MERCURY (II) ION, Ribonuclease pancreatic, SULFATE ION | | Authors: | Genz, M, Straeter, N. | | Deposit date: | 2013-04-17 | | Release date: | 2013-11-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Apo- and Metalated Thiolate containing RNase S as Structural Basis for the Design of Artificial Metalloenzymes by Peptide- Protein Complementation
Z.Anorg.Allg.Chem., 639, 2013
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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: | 2024-10-30 | | 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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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: | 2024-11-20 | | 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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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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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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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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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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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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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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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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2NBQ
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6S07
 | | Structure of formylglycine-generating enzyme at 1.04 A in complex with copper and substrate reveals an acidic pocket for binding and acti-vation of molecular oxygen. | | Descriptor: | Abz-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY-ARG, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Leisinger, F, Miarzlou, D.A, Seebeck, F.P. | | Deposit date: | 2019-06-14 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Structure of formylglycine-generating enzyme in complex with copper and a substrate reveals an acidic pocket for binding and activation of molecular oxygen.
Chem Sci, 10, 2019
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5HNG
 | | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole, SULFATE ION | | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | | Deposit date: | 2016-01-18 | | Release date: | 2016-06-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5HKM
 | | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine, SULFATE ION | | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | | Deposit date: | 2016-01-14 | | Release date: | 2016-06-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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