2UW5
 
 | | Structure of PKA-PKB chimera complexed with (R)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine | | Descriptor: | (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | | Deposit date: | 2007-03-19 | | Release date: | 2007-05-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery
J.Med.Chem., 50, 2007
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1IY1
 | | Crystal structure of the FtsH ATPase domain with ADP from Thermus thermophilus | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent metalloprotease FtsH | | Authors: | Niwa, H, Tsuchiya, D, Makyio, H, Yoshida, M, Morikawa, K. | | Deposit date: | 2002-07-10 | | Release date: | 2002-11-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Hexameric ring structure of the ATPase domain of the membrane-integrated metalloprotease FtsH from Thermus thermophilus HB8
Structure, 10, 2002
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1IY2
 | | Crystal structure of the FtsH ATPase domain from Thermus thermophilus | | Descriptor: | ATP-dependent metalloprotease FtsH, SULFATE ION | | Authors: | Niwa, H, Tsuchiya, D, Makyio, H, Yoshida, M, Morikawa, K. | | Deposit date: | 2002-07-10 | | Release date: | 2002-11-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Hexameric ring structure of the ATPase domain of the membrane-integrated metalloprotease FtsH from Thermus thermophilus HB8
Structure, 10, 2002
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1XQS
 | | Crystal structure of the HspBP1 core domain complexed with the fragment of Hsp70 ATPase domain | | Descriptor: | ADENOSINE MONOPHOSPHATE, HSPBP1 protein, Heat shock 70 kDa protein 1 | | Authors: | Shomura, Y, Dragovic, Z, Chang, H.C, Tzvetkov, N, Young, J.C, Brodsky, J.L, Guerriero, V, Hartl, F.U, Bracher, A. | | Deposit date: | 2004-10-13 | | Release date: | 2005-03-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Regulation of Hsp70 Function by HspBP1; Structural Analysis Reveals an Alternate Mechanism for Hsp70 Nucleotide Exchange
Mol.Cell, 17, 2005
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1IXZ
 | | Crystal structure of the FtsH ATPase domain from Thermus thermophilus | | Descriptor: | ATP-dependent metalloprotease FtsH, MERCURY (II) ION, SULFATE ION | | Authors: | Niwa, H, Tsuchiya, D, Makyio, H, Yoshida, M, Morikawa, K. | | Deposit date: | 2002-07-10 | | Release date: | 2002-11-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Hexameric ring structure of the ATPase domain of the membrane-integrated metalloprotease FtsH from Thermus thermophilus HB8
Structure, 10, 2002
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2UW0
 | | Structure of PKA-PKB chimera complexed with 6-(4-(4-(4-Chloro-phenyl) -piperidin-4-yl)-phenyl)-9H-purine | | Descriptor: | 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2007-03-15 | | Release date: | 2007-05-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
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2UW7
 | | Structure of PKA-PKB chimera complexed with 4-(4-chloro-phenyl)-4-(4- (1H-pyrazol-4-yl)-phenyl)-piperidine | | Descriptor: | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | | Deposit date: | 2007-03-19 | | Release date: | 2007-05-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery
J.Med.Chem., 50, 2007
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2UW3
 | | Structure of PKA-PKB chimera complexed with 5-methyl-4-phenyl-1H- pyrazole | | Descriptor: | 3-METHYL-4-PHENYL-1H-PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | | Deposit date: | 2007-03-19 | | Release date: | 2007-05-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery
J.Med.Chem., 50, 2007
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2UW4
 | | Structure of PKA-PKB chimera complexed with 2-(4-(5-methyl-1H-pyrazol- 4-yl)-phenyl)-ethylamine | | Descriptor: | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | | Deposit date: | 2007-03-19 | | Release date: | 2007-05-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery
J.Med.Chem., 50, 2007
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3MUV
 | | Crystal Structure of the G20A/C92U mutant c-di-GMP riboswith bound to c-di-AMP | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, G20A/C92U mutant c-di-GMP riboswitch, MAGNESIUM ION, ... | | Authors: | Strobel, S.A, Smith, K.D. | | Deposit date: | 2010-05-03 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch .
Biochemistry, 49, 2010
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2VO6
 | | Structure of PKA-PKB chimera complexed with 4-(4-Chlorobenzyl)-1-(7H- pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-ylamine | | Descriptor: | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
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2DZC
 | | Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii, Mutation R48A | | Descriptor: | biotin--[acetyl-CoA-carboxylase] ligase | | Authors: | Bagautdinov, B, Taketa, M, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-09-27 | | Release date: | 2007-03-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Protein biotinylation visualized by a complex structure of biotin protein ligase with a substrate
J.Biol.Chem., 283, 2008
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4MA0
 | | The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with partially hydrolysed ATP | | Descriptor: | ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-08-15 | | Release date: | 2013-08-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.982 Å) | | Cite: | The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with partially hydrolysed ATP
To be Published
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3OW3
 | | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | | Descriptor: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | | Deposit date: | 2010-09-17 | | Release date: | 2010-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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2J2I
 | | Crystal Structure of the humab PIM1 in complex with LY333531 | | Descriptor: | (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, SULFATE ION | | Authors: | Debreczeni, J.E, Bullock, A.N, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S. | | Deposit date: | 2006-08-16 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.
Proc. Natl. Acad. Sci. U.S.A., 104, 2007
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2X14
 | | The catalytically active fully closed conformation of human phosphoglycerate kinase K219A mutant in complex with AMP-PCP and 3PG | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, MAGNESIUM ION, PHOSPHOGLYCERATE KINASE 1, ... | | Authors: | Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hownslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P. | | Deposit date: | 2009-12-21 | | Release date: | 2010-12-29 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Metal fluorides-multi-functional tools for the study of phosphoryl transfer enzymes, a practical guide.
Structure, 2024
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2GDJ
 | | Delta-62 RADA recombinase in complex with AMP-PNP and magnesium | | Descriptor: | DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Wu, Y, Qian, X, He, Y, Luo, Y. | | Deposit date: | 2006-03-16 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Rad51/RadA N-Terminal Domain Activates Nucleoprotein Filament ATPase Activity.
Structure, 14, 2006
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2XE8
 | | The complete reaction cycle of human phosphoglycerate kinase: The open ternary complex with 3PG and AMP-PNP | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, PHOSPHOGLYCERATE KINASE 1, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W. | | Deposit date: | 2010-05-11 | | Release date: | 2011-01-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase.
J.Biol.Chem., 286, 2011
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2GS7
 | | Crystal Structure of the inactive EGFR kinase domain in complex with AMP-PNP | | Descriptor: | Epidermal growth factor receptor, IODIDE ION, MAGNESIUM ION, ... | | Authors: | Zhang, X, Gureasko, J, Shen, K, Cole, P.A, Kuriyan, J. | | Deposit date: | 2006-04-25 | | Release date: | 2006-06-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | An allosteric mechanism for activation of the kinase domain of epidermal growth factor receptor
Cell(Cambridge,Mass.), 125, 2006
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2F1I
 | | Recombinase in Complex with AMP-PNP | | Descriptor: | DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Qian, X, He, Y, Wu, Y, Luo, Y. | | Deposit date: | 2005-11-14 | | Release date: | 2006-05-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Asp302 determines potassium dependence of a RadA recombinase from Methanococcus voltae.
J.Mol.Biol., 360, 2006
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3AGO
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9BFE
 | | Tyrocidine synthetase modules 1 and 2 crosslinked in the condensation state, complex B | | Descriptor: | (7S,10aR)-1-methyl-4-{4-[(5R)-1,1,5-trihydroxy-4,4-dimethyl-1,6,11-trioxo-2-oxa-7,10-diaza-1lambda~5~-phosphadodecan-12-yl]phenyl}-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl [2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]carbamate, ADENOSINE MONOPHOSPHATE, Tyrocidine synthase 1, ... | | Authors: | Heberlig, G.W, Burkart, M.D. | | Deposit date: | 2024-04-17 | | Release date: | 2024-10-09 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Crosslinking Reveals the Molecular Details of Intermodular Condensation and Epimerization in Nonribosomal Peptide Biosynthesis
To Be Published
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4D79
 | | Crystal structure of E. coli tRNA N6-threonylcarbamoyladenosine dehydratase, TcdA, in complex with ATP at 1.768 Angstroem resolution | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, POTASSIUM ION, ... | | Authors: | Lopez-Estepa, M, Arda, A, Savko, M, Round, A, Shepard, W, Bruix, M, Coll, M, Fernandez, F.J, Jimenez-Barbero, J, Vega, M.C. | | Deposit date: | 2014-11-21 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.768 Å) | | Cite: | The Crystal Structure and Small-Angle X-Ray Analysis of Csdl/Tcda Reveal a New tRNA Binding Motif in the Moeb/E1 Superfamily.
Plos One, 10, 2015
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3A8T
 | | Plant adenylate isopentenyltransferase in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenylate isopentenyltransferase, PHOSPHATE ION | | Authors: | Chu, H.-M, Ko, T.-P, Wang, A.H.-J. | | Deposit date: | 2009-10-09 | | Release date: | 2009-12-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Crystal structure and substrate specificity of plant adenylate isopentenyltransferase from Humulus lupulus: distinctive binding affinity for purine and pyrimidine nucleotides
Nucleic Acids Res., 38, 2010
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3A9C
 | | Crystal structure of ribose-1,5-bisphosphate isomerase from Thermococcus kodakaraensis KOD1 in complex with ribulose-1,5-bisphosphate | | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, RIBULOSE-1,5-DIPHOSPHATE, ... | | Authors: | Nakamura, A, Fujihashi, M, Nishiba, Y, Yoshida, S, Yano, A, Atomi, H, Imanaka, T, Miki, K. | | Deposit date: | 2009-10-22 | | Release date: | 2010-11-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Dynamic, ligand-dependent conformational change triggers reaction of ribose-1,5-bisphosphate isomerase from Thermococcus kodakarensis KOD1
J.Biol.Chem., 287, 2012
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