8RJ6
| E. coli adenylate kinase in complex with ATP and AMP and Mg2+ as a result of enzymatic AP4A hydrolysis. | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2023-12-20 | Release date: | 2024-07-10 | Last modified: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Magnesium induced structural reorganization in the active site of adenylate kinase. Sci Adv, 10, 2024
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8RJ4
| E. coli adenylate kinase in complex with two ADP molecules and Mg2+ as a result of enzymatic AP4A hydrolysis | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, CHLORIDE ION, ... | Authors: | Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2023-12-20 | Release date: | 2024-07-10 | Last modified: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Magnesium induced structural reorganization in the active site of adenylate kinase. Sci Adv, 10, 2024
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8RJ9
| E. coli adenylate kinase Asp84Ala variant in complex with two ADP molecules as a result of enzymatic AP4A hydrolysis. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase | Authors: | Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2023-12-20 | Release date: | 2024-07-10 | Last modified: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Magnesium induced structural reorganization in the active site of adenylate kinase. Sci Adv, 10, 2024
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8Q2B
| E. coli Adenylate Kinase variant D158A (AK D158A) showing significant changes to the stacking of catalytic arginine side chains | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ... | Authors: | Sauer, U.H, Wolf-Watz, M, Nam, K. | Deposit date: | 2023-08-01 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Elucidating Dynamics of Adenylate Kinase from Enzyme Opening to Ligand Release. J.Chem.Inf.Model., 64, 2024
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8CRG
| E. coli adenylate kinase in complex with two ADP molecules as a result of enzymatic AP4A hydrolysis | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase | Authors: | Oelker, M, Tischlik, S, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2023-03-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Insights into Enzymatic Catalysis from Binding and Hydrolysis of Diadenosine Tetraphosphate by E. coli Adenylate Kinase. Biochemistry, 62, 2023
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8BQF
| Adenylate Kinase L107I MUTANT | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE | Authors: | Scheerer, D, Adkar, B.V, Bhattacharyya, S, Levy, D, Iljina, M, Iljina, I, Dym, O, Haran, G, Shakhnovich, E.I. | Deposit date: | 2022-11-21 | Release date: | 2023-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Allosteric communication between ligand binding domains modulates substrate inhibition in adenylate kinase. Proc.Natl.Acad.Sci.USA, 120, 2023
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7APU
| Structure of Adenylate kinase from Escherichia coli in complex with two ADP molecules refined at 1.36 A resolution. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, SODIUM ION | Authors: | Grundstom, C, Wolf-Watz, M, Nam, K, Sauer, U.H. | Deposit date: | 2020-10-19 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Dynamic Connection between Enzymatic Catalysis and Collective Protein Motions. Biochemistry, 60, 2021
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6ZJD
| Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GTP:AMP phosphotransferase AK3, ... | Authors: | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2020-06-28 | Release date: | 2020-09-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3. Biochemistry, 59, 2020
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6ZJB
| Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor Gp5A | Descriptor: | GTP:AMP phosphotransferase AK3, mitochondrial, MAGNESIUM ION, ... | Authors: | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2020-06-28 | Release date: | 2020-09-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.822 Å) | Cite: | Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3. Biochemistry, 59, 2020
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6ZJE
| Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor Ap5A | Descriptor: | BIS(ADENOSINE)-5'-PENTAPHOSPHATE, CHLORIDE ION, GTP:AMP phosphotransferase AK3, ... | Authors: | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2020-06-28 | Release date: | 2020-09-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3. Biochemistry, 59, 2020
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6S36
| Crystal structure of E. coli Adenylate kinase R119K mutant | Descriptor: | Adenylate kinase, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2019-06-24 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nucleation of an Activating Conformational Change by a Cation-pi Interaction. Biochemistry, 58, 2019
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6RZE
| Crystal structure of E. coli Adenylate kinase R119A mutant | Descriptor: | Adenylate kinase, CHLORIDE ION, SODIUM ION | Authors: | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2019-06-13 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Nucleation of an Activating Conformational Change by a Cation-pi Interaction. Biochemistry, 58, 2019
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6HAP
| Adenylate kinase | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE | Authors: | Kantaev, R, Inbal, R, Goldenzweig, A, Barak, Y, Dym, O, Peleg, Y, Albek, S, Fleishman, S.J, Haran, G. | Deposit date: | 2018-08-08 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Manipulating the Folding Landscape of a Multidomain Protein. J.Phys.Chem.B, 122, 2018
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6HAM
| Adenylate kinase | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE | Authors: | Kantaev, R, Inbal, R, Goldenzweig, A, Barak, Y, Dym, O, Peleg, Y, Albek, S, Fleishman, S.J, Haran, G. | Deposit date: | 2018-08-08 | Release date: | 2019-08-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Manipulating the Folding Landscape of a Multidomain Protein. J.Phys.Chem.B, 122, 2018
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6F7U
| Molecular Mechanism of ATP versus GTP Selectivity of Adenylate Kinase | Descriptor: | Adenylate kinase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | Authors: | Rogne, P, Rosselin, M, Grundstrom, C, Hedberg, C, Wolf-Watz, M, Sauer, U.H. | Deposit date: | 2017-12-12 | Release date: | 2018-03-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular mechanism of ATP versus GTP selectivity of adenylate kinase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5X6I
| Crystal structure of B. subtilis adenylate kinase variant | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, CALCIUM ION, ... | Authors: | Moon, S, Bae, E. | Deposit date: | 2017-02-22 | Release date: | 2018-02-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and mutational analyses of psychrophilic and mesophilic adenylate kinases highlight the role of hydrophobic interactions in protein thermal stability. Struct Dyn., 6, 2019
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5X6J
| Crystal structure of B. globisporus adenylate kinase variant | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ZINC ION | Authors: | Moon, S, Bae, E. | Deposit date: | 2017-02-22 | Release date: | 2018-02-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and mutational analyses of psychrophilic and mesophilic adenylate kinases highlight the role of hydrophobic interactions in protein thermal stability. Struct Dyn., 6, 2019
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5EJE
| Crystal structure of E. coli Adenylate kinase G56C/T163C double mutant in complex with Ap5a | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, COBALT (II) ION | Authors: | Sauer, U.H, Kovermann, M, Grundstrom, C, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2015-11-01 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for ligand binding to an enzyme by a conformational selection pathway. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3X2S
| Crystal structure of pyrene-conjugated adenylate kinase | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | Authors: | Fujii, A, Sekiguchi, Y, Matsumura, H, Inoue, T, Chung, W.-S, Hirota, S, Matsuo, T. | Deposit date: | 2014-12-31 | Release date: | 2015-04-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Excimer Emission Properties on Pyrene-Labeled Protein Surface: Correlation between Emission Spectra, Ring Stacking Modes, and Flexibilities of Pyrene Probes. Bioconjug.Chem., 26, 2015
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4X8H
| Crystal structure of E. coli Adenylate kinase P177A mutant | Descriptor: | Adenylate kinase | Authors: | Sauer-Eriksson, A.E, Kovermann, M, Aden, J, Grundstrom, C, Wolf-Watz, M, Sauer, U.H. | Deposit date: | 2014-12-10 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for catalytically restrictive dynamics of a high-energy enzyme state. Nat Commun, 6, 2015
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4X8L
| Crystal structure of E. coli Adenylate kinase P177A mutant in complex with inhibitor Ap5a | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sauer-Eriksson, A.E, Kovermann, M, Aden, J, Grundstrom, C, Wolf-Watz, M, Sauer, U.H. | Deposit date: | 2014-12-10 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for catalytically restrictive dynamics of a high-energy enzyme state. Nat Commun, 6, 2015
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4X8O
| Crystal structure of E. coli Adenylate kinase Y171W mutant in complex with inhibitor Ap5a | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sauer-Eriksson, A.E, Kovermann, M, Aden, J, Grundstrom, C, Wolf-Watz, M, Sauer, U.H. | Deposit date: | 2014-12-10 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for catalytically restrictive dynamics of a high-energy enzyme state. Nat Commun, 6, 2015
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4X8M
| Crystal structure of E. coli Adenylate kinase Y171W mutant | Descriptor: | Adenylate kinase | Authors: | Sauer-Eriksson, A.E, Kovermann, M, Aden, J, Grundstrom, C, Wolf-Watz, M, Sauer, U.H. | Deposit date: | 2014-12-10 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for catalytically restrictive dynamics of a high-energy enzyme state. Nat Commun, 6, 2015
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4TYQ
| Crystal structure of an adenylate kinase mutant--AKm2 | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, CALCIUM ION, ... | Authors: | Moon, S, Bae, E. | Deposit date: | 2014-07-09 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of thermally stable adenylate kinase mutants designed by local structural entropy optimization and structure-guided mutagenesis J KOREAN SOC APPL BIOL CHEM, 57, 2014
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4TYP
| Crystal structure of an adenylate kinase mutant--AKm1 | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ZINC ION | Authors: | Moon, S, Bae, E. | Deposit date: | 2014-07-09 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of thermally stable adenylate kinase mutants designed by local structural entropy optimization and structure-guided mutagenesis J KOREAN SOC APPL BIOL CHEM, 57, 2014
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