3OVV
 
 | | Human cAMP-dependent protein kinase in complex with an inhibitor | | Descriptor: | (2S,3S)-butane-2,3-diol, N'-[(1E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-09-17 | | Release date: | 2011-09-21 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | fragment based drug design on PKA
To be Published
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6CTA
 | | Structure of the human cGAS-DNA complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*A)-3'), ... | | Authors: | Zhou, W, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Mekalanos, J.J, Kranzusch, P.J. | | Deposit date: | 2018-03-22 | | Release date: | 2018-07-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.779 Å) | | Cite: | Structure of the Human cGAS-DNA Complex Reveals Enhanced Control of Immune Surveillance.
Cell, 174, 2018
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6CT9
 | | Structure of the human cGAS-DNA complex | | Descriptor: | Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*A)-3'), DNA (5'-D(P*CP*GP*TP*CP*TP*TP*CP*GP*GP*CP*AP*AP*T)-3'), ... | | Authors: | Zhou, W, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Mekalanos, J.J, Kranzusch, P.J. | | Deposit date: | 2018-03-22 | | Release date: | 2018-07-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure of the Human cGAS-DNA Complex Reveals Enhanced Control of Immune Surveillance.
Cell, 174, 2018
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6BKF
 | | Lysyl-adenylate form of human LigIV catalytic domain with bound DNA substrate in open conformation | | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Moon, A.F, Tumbale, P.P, Schellenberg, M.J, Williams, R.S, Williams, J.G, Kunkel, T.A, Pedersen, L.C, Bebenek, B. | | Deposit date: | 2017-11-08 | | Release date: | 2018-07-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structures of DNA-bound human ligase IV catalytic core reveal insights into substrate binding and catalysis.
Nat Commun, 9, 2018
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3OXT
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5J5X
 | | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1416 | | Descriptor: | 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, 47P-AZ1-DAL-DAR-DAR-DAR-DAR, SULFATE ION, ... | | Authors: | Alam, K.A, Ivan, T, Uri, A, Engh, R.A. | | Deposit date: | 2016-04-04 | | Release date: | 2016-07-20 | | Last modified: | 2019-06-19 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Bioconjug.Chem., 27, 2016
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1PYG
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1Q99
 | | Crystal structure of the Saccharomyces cerevisiae SR protein kinsae, Sky1p, complexed with the non-hydrolyzable ATP analogue, AMP-PNP | | Descriptor: | 1,2-ETHANEDIOL, METHANOL, NICKEL (II) ION, ... | | Authors: | Nolen, B, Ngo, J, Chakrabarti, S, Vu, D, Adams, J.A, Ghosh, G. | | Deposit date: | 2003-08-22 | | Release date: | 2003-09-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Nucleotide-Induced Conformational Changes in the Saccharomyces cerevisiae SR Protein Kinase, Sky1p, Revealed by X-ray Crystallography
Biochemistry, 42, 2003
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1T4G
 | | ATPase in complex with AMP-PNP | | Descriptor: | DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Wu, Y, He, Y, Moya, I.A, Qian, X, Luo, Y. | | Deposit date: | 2004-04-29 | | Release date: | 2004-08-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Archaeal Recombinase RadA; A Snapshot of Its Extended Conformation.
Mol.Cell, 15, 2004
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5IZF
 | | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1408 | | Descriptor: | 6J9-ZEU-DAR-ACA-DAR-NH2, SULFATE ION, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Pflug, A, Enkvist, E, Uri, A, Engh, R.A. | | Deposit date: | 2016-03-25 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Bioconjug.Chem., 27, 2016
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3TNQ
 | | Structure and Allostery of the PKA RIIb Tetrameric Holoenzyme | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein kinase, ... | | 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: | 2012-09-26 | | Method: | X-RAY DIFFRACTION (3.097 Å) | | Cite: | Structure and allostery of the PKA RIIbeta tetrameric holoenzyme
Science, 335, 2012
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3P0M
 | | Human cAMP-dependent protein kinase in complex with an inhibitor | | Descriptor: | (2R)-4-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-09-29 | | Release date: | 2011-09-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Fragment based drug design on PKA
To be Published
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5KJZ
 | | Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cGMP | | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, cAMP-dependent protein kinase type I-alpha regulatory subunit | | Authors: | Lorenz, R, Moon, E, Kim, J.J, Huang, G.Y, Kim, C, Herberg, F.W. | | Deposit date: | 2016-06-20 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.347 Å) | | Cite: | Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity.
Biochem. J., 474, 2017
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3OOG
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6NFG
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6NFO
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7AUU
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2IVS
 | | Crystal structure of non-phosphorylated RET tyrosine kinase domain | | Descriptor: | 2',3'- cyclic AMP, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | | Authors: | Knowles, P.P, Murray-Rust, J, McDonald, N.Q. | | Deposit date: | 2006-06-16 | | Release date: | 2006-08-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Chemical Inhibition of the Ret Tyrosine Kinase Domain.
J.Biol.Chem., 281, 2006
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6IYL
 | | The structure of EntE with 3-cyanobenzoyl adenylate analog | | Descriptor: | 2,3-dihydroxybenzoate-AMP ligase component of enterobactin synthase multienzyme complex, 5'-O-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine | | Authors: | Miyanaga, A, Ishikawa, F. | | Deposit date: | 2018-12-17 | | Release date: | 2019-04-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | An Engineered Aryl Acid Adenylation Domain with an Enlarged Substrate Binding Pocket.
Angew.Chem.Int.Ed.Engl., 58, 2019
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6B6H
 | | The cryo-EM structure of a bacterial class I transcription activation complex | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Liu, B, Hong, C, Huang, R, Yu, Z, Steitz, T.A. | | Deposit date: | 2017-10-02 | | Release date: | 2017-11-15 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis of bacterial transcription activation.
Science, 358, 2017
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6IYK
 | | The structure of EntE with 2-nitrobenzoyl adenylate analog | | Descriptor: | 2,3-dihydroxybenzoate-AMP ligase component of enterobactin synthase multienzyme complex, 5'-O-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine | | Authors: | Miyanaga, A, Ishikawa, F. | | Deposit date: | 2018-12-17 | | Release date: | 2019-04-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | An Engineered Aryl Acid Adenylation Domain with an Enlarged Substrate Binding Pocket.
Angew.Chem.Int.Ed.Engl., 58, 2019
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1NHK
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1R6T
 | | crystal structure of human tryptophanyl-tRNA synthetase | | Descriptor: | GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase | | Authors: | Yang, X.-L, Otero, F.J, Skene, R.J, McRee, D.E, Ribas de Pouplana, L, Schimmel, P. | | Deposit date: | 2003-10-16 | | Release date: | 2004-01-06 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures that suggest late development of genetic code components for differentiating aromatic side chains
Proc.Natl.Acad.Sci.USA, 100, 2003
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1R6U
 | | Crystal structure of an active fragment of human tryptophanyl-tRNA synthetase with cytokine activity | | Descriptor: | GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase | | Authors: | Yang, X.-L, Otero, F.J, Skene, R.J, McRee, D.E, Ribas de Pouplana, L, Schimmel, P. | | Deposit date: | 2003-10-16 | | Release date: | 2004-01-06 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional and crystal structure analysis of active site adaptations of a potent anti-angiogenic human tRNA synthetase
Structure, 15, 2007
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3POO
 | | human cAMP-dependent protein kinase in complex with an inhibitor | | Descriptor: | (2S,3S)-butane-2,3-diol, N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-11-23 | | Release date: | 2011-11-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | fragment based drug design on PKA
To be Published
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