5AMP
 
 | | Geotrichum candidum Cel7A apo structure at 2.1A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE I, ... | | Authors: | Borisova, A.S, Stahlberg, J. | | Deposit date: | 2015-03-11 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
FEBS J., 282, 2015
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8BRP
 | | Peptide Arginase OspR from the cyanobacterium Kamptonema sp. | | Descriptor: | ACETATE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Mordhorst, S, Badmann, T, Boesch, N.M, Morinaka, B.I, Rach, H, Piel, J, Groll, M, Vagstadt, A.L. | | Deposit date: | 2022-11-23 | | Release date: | 2023-03-01 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and Biochemical Insights into Post-Translational Arginine-to-Ornithine Peptide Modifications by an Atypical Arginase.
Acs Chem.Biol., 18, 2023
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9J8E
 | | Structural insights into BirA from Haemophilus influenzae, a bifunctional protein as a biotin protein ligase and a transcriptional repressor | | Descriptor: | BIOTINYL-5-AMP, Bifunctional ligase/repressor BirA | | Authors: | Lee, J.Y, Jeong, K.H, Son, S.B, Ko, J.H. | | Deposit date: | 2024-08-21 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural insights into BirA from Haemophilus influenzae, a bifunctional protein as a biotin protein ligase and a transcriptional repressor.
Biochem.Biophys.Res.Commun., 733, 2024
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5XRX
 | | EFK17DA structure in Microgel MAA60 | | Descriptor: | Cathelicidin antimicrobial peptide | | Authors: | Datta, A, Bhunia, A. | | Deposit date: | 2017-06-10 | | Release date: | 2018-04-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Conformational Aspects of High Content Packing of Antimicrobial Peptides in Polymer Microgels
ACS Appl Mater Interfaces, 9, 2017
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2DZ9
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2DVE
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2F3D
 | | Mechanism of displacement of a catalytically essential loop from the active site of fructose-1,6-bisphosphatase | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | | Authors: | Iancu, C.V, Mukund, S, Choe, J.-Y, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 2005-11-21 | | Release date: | 2006-04-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Mechanism of displacement of a catalytically essential loop from the active site of mammalian fructose-1,6-bisphosphatase.
Biochemistry, 52, 2013
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3V8L
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4X6Q
 | | An Isoform-specific Myristylation Switch Targets RIIb PKA Holoenzymes to Membranes | | Descriptor: | cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type II-beta regulatory subunit | | Authors: | Zhang, P, Ye, F, Bastidas, A.C, Kornev, A.P, Ginsberg, M.H, Taylor, S.S. | | Deposit date: | 2014-12-08 | | Release date: | 2015-07-22 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | An Isoform-Specific Myristylation Switch Targets Type II PKA Holoenzymes to Membranes.
Structure, 23, 2015
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5XNG
 | | EFK17A structure in Microgel MAA60 | | Descriptor: | Cathelicidin antimicrobial peptide | | Authors: | Datta, A, Bhunia, A. | | Deposit date: | 2017-05-22 | | Release date: | 2018-04-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Conformational Aspects of High Content Packing of Antimicrobial Peptides in Polymer Microgels
ACS Appl Mater Interfaces, 9, 2017
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5J5Q
 | | AMP-PNP-stabilized ATPase domain of topoisomerase IV from Streptococcus pneumoniae, complex type II | | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*AP*TP*AP*TP*AP*TP*AP*TP*GP*C)-3'), DNA topoisomerase 4 subunit B, MAGNESIUM ION, ... | | Authors: | Laponogov, I, Pan, X.-S, Skamrova, G, Umrekar, T, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2016-04-03 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Trapping of the transport-segment DNA by the ATPase domains of a type II topoisomerase.
Nat Commun, 9, 2018
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5J5P
 | | AMP-PNP-stabilized ATPase domain of topoisomerase IV from Streptococcus pneumoniae, complex type I | | Descriptor: | DNA (5'-D(*GP*CP*GP*CP*GP*C)-3'), DNA topoisomerase 4 subunit B, MAGNESIUM ION, ... | | Authors: | Laponogov, I, Pan, X.-S, Skamrova, G, Umrekar, T, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2016-04-03 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Trapping of the transport-segment DNA by the ATPase domains of a type II topoisomerase.
Nat Commun, 9, 2018
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7BGM
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2LB7
 | | Hevein-type Antifungal Peptide with a Unique 10-Cysteine Motif | | Descriptor: | Antimicrobial peptide 1a | | Authors: | Balashova, T.A, Vassilevski, A.A, Odintsova, T.I, Grishin, E.V, Egorov, T.A, Arseniev, A.S. | | Deposit date: | 2011-03-23 | | Release date: | 2011-04-13 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a defense peptide from wheat with a 10-cysteine motif.
Biochem.Biophys.Res.Commun., 411, 2011
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2C1A
 | | Structure of cAMP-dependent protein kinase complexed with Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino) ethyl)amide | | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE | | Authors: | Collins, I, Caldwell, J, Fonseca, T, Donald, A, Bavetsias, V, Hunter, L.J, Garrett, M.D, Rowlands, M.G, Aherne, G.W, Davies, T.G, Berdini, V, Woodhead, S.J, Seavers, L.C.A, Wyatt, P.G, Workman, P, McDonald, E. | | Deposit date: | 2005-09-12 | | Release date: | 2005-11-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.
Bioorg. Med. Chem., 14, 2006
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1Q62
 | | PKA double mutant model of PKB | | Descriptor: | cAMP-dependent protein kinase inhibitor, alpha form, cAMP-dependent protein kinase, ... | | Authors: | Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A. | | Deposit date: | 2003-08-12 | | Release date: | 2003-09-30 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
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8RPL
 | | AMP-forming acetyl-CoA synthetase from Chloroflexota bacterium with bound acetyl AMP | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Acetate--CoA ligase, MAGNESIUM ION, ... | | Authors: | Striska, K, Palm, G.J, Lammers, M. | | Deposit date: | 2024-01-16 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Acetyl-CoA synthetase activity is enzymatically regulated by lysine acetylation using acetyl-CoA or acetyl-phosphate as donor molecule.
Nat Commun, 15, 2024
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8RPK
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3DND
 | | cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24 | | Descriptor: | 5-benzyl-1,3-thiazol-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Schiffer, A, Wendt, K.U. | | Deposit date: | 2008-07-02 | | Release date: | 2009-06-23 | | Last modified: | 2013-10-09 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystallography-independent determination of ligand binding modes
Angew.Chem.Int.Ed.Engl., 47, 2008
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3DNE
 | | cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24 | | Descriptor: | 3-pyridin-4-yl-1H-indazole, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Schiffer, A, Wendt, K.U. | | Deposit date: | 2008-07-02 | | Release date: | 2009-06-23 | | Last modified: | 2013-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallography-independent determination of ligand binding modes
Angew.Chem.Int.Ed.Engl., 47, 2008
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4YXS
 | | CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24 | | Descriptor: | N-BENZYL-9H-PURIN-6-AMINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Schiffer, A, Wendt, K.U. | | Deposit date: | 2015-03-23 | | Release date: | 2015-05-20 | | Last modified: | 2015-06-03 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
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3TNP
 | | Structure and Allostery of the PKA RIIb Tetrameric Holoenzyme | | Descriptor: | cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type II-beta regulatory subunit | | Authors: | Zhang, P, Smith-Nguyen, E.V, Keshwani, M.M, Deal, M.S, Kornev, A.P, Taylor, S.S. | | Deposit date: | 2011-09-01 | | Release date: | 2012-02-01 | | Last modified: | 2013-02-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and allostery of the PKA RIIbeta tetrameric holoenzyme
Science, 335, 2012
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5N3D
 | | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-(trifluoromethyl)benzenecarboximidamide | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, [azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2017-02-08 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
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5N33
 | | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-amino-5-(trifluoromethyl)-1H-pyridin-2-one | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one, DIMETHYL SULFOXIDE, ... | | Authors: | Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2017-02-08 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.434 Å) | | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
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5N3E
 | | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 6-dimethylaminopyridine-3-carboxylic acid | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(dimethylamino)pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2017-02-08 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.529 Å) | | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
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