7D4O
 
 | | cyclic trinucleotide synthase CdnD in complex with ATP and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cyclic AMP-AMP-GMP synthase, ... | | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | | Deposit date: | 2020-09-24 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase.
Nucleic Acids Res., 49, 2021
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7D4J
 | | ddATP complex of cyclic trinucleotide synthase CdnD | | Descriptor: | 2',3'-dideoxyadenosine triphosphate, Cyclic AMP-AMP-GMP synthase, MAGNESIUM ION | | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | | Deposit date: | 2020-09-24 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase.
Nucleic Acids Res., 49, 2021
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7D48
 | | apo-form cyclic trinucleotide synthase CdnD | | Descriptor: | Cyclic AMP-AMP-GMP synthase, SODIUM ION | | Authors: | Yang, C.-S, Hou, M.-H, Tsai, C.-L, Wang, Y.-C, Ko, T.-P, Chen, Y. | | Deposit date: | 2020-09-23 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure and functional implication of a bacterial cyclic AMP-AMP-GMP synthetase.
Nucleic Acids Res., 49, 2021
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2OUN
 | | crystal structure of PDE10A2 in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ZINC ION, ... | | Authors: | Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H, Ke, H.M. | | Deposit date: | 2007-02-12 | | Release date: | 2007-03-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | From the Cover: Structural insight into substrate specificity of phosphodiesterase 10.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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6LRC
 | | Human cGAS catalytic domain bound with the inhibitor PF-06928215 | | Descriptor: | (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Xu, Y.C. | | Deposit date: | 2020-01-15 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.831 Å) | | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
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6LRL
 | | Human cGAS catalytic domain bound with compound s2 | | Descriptor: | 3-[[5-(1,2,4-triazol-4-yl)-4H-1,2,4-triazol-3-yl]carbonylamino]benzoic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | | Deposit date: | 2020-01-16 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.655 Å) | | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
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6LRJ
 | | Human cGAS catalytic domain bound with compound 23 | | Descriptor: | 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | | Deposit date: | 2020-01-16 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
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6E5Y
 | | 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase from Bordetella pertussis in Complex with AMP. | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Argininosuccinate synthase, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Cardona-Correa, A, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-07-23 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase from Bordetella pertussis in Complex with AMP.
To Be Published
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7SII
 | | Human STING bound to both cGAMP and 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide (Compound 53) | | Descriptor: | 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide, Stimulator of interferon genes protein, cGAMP | | Authors: | Lu, D, Shang, G, Jie, L, Lu, Y, Bai, X.C, Zhang, X. | | Deposit date: | 2021-10-14 | | Release date: | 2022-02-02 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Activation of STING by targeting a pocket in the transmembrane domain.
Nature, 604, 2022
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2OUR
 | | crystal structure of PDE10A2 mutant D674A in complex with cAMP | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, MAGNESIUM ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | | Authors: | Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H. | | Deposit date: | 2007-02-12 | | Release date: | 2007-03-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | From the Cover: Structural insight into substrate specificity of phosphodiesterase 10.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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4S1B
 | | Crystal Structure of L. monocytogenes phosphodiesterase PgpH HD domain in complex with Cyclic-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, FE (III) ION, Lmo1466 protein | | Authors: | Luo, S, Tong, L. | | Deposit date: | 2015-01-12 | | Release date: | 2015-02-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | An HD-domain phosphodiesterase mediates cooperative hydrolysis of c-di-AMP to affect bacterial growth and virulence.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5VYZ
 | | Crystal structure of Lactococcus lactis pyruvate carboxylase in complex with cyclic-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, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Choi, P.H, Tong, L. | | Deposit date: | 2017-05-26 | | Release date: | 2017-08-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and functional studies of pyruvate carboxylase regulation by cyclic di-AMP in lactic acid bacteria.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VZ0
 | | Crystal structure of Lactococcus lactis pyruvate carboxylase G746A mutant in complex with cyclic-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, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Choi, P.H, Tong, L. | | Deposit date: | 2017-05-26 | | Release date: | 2017-08-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and functional studies of pyruvate carboxylase regulation by cyclic di-AMP in lactic acid bacteria.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4XTT
 | | Structural Studies of Potassium Transport Protein KtrA Regulator of Conductance of K+ (RCK) C domain in Complex with Cyclic Diadenosine Monophosphate (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, Putative potassium transport protein | | Authors: | Kim, H, Youn, S.J, Kim, S.O, Ko, J, Lee, J.O, Choi, B.S. | | Deposit date: | 2015-01-24 | | Release date: | 2015-05-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.708 Å) | | Cite: | Structural Studies of Potassium Transport Protein KtrA Regulator of Conductance of K+ (RCK) C Domain in Complex with Cyclic Diadenosine Monophosphate (c-di-AMP)
J.Biol.Chem., 290, 2015
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4QSK
 | | Crystal Structure of L. monocytogenes Pyruvate Carboxylase in complex with Cyclic-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, CITRATE ANION, MANGANESE (II) ION, ... | | Authors: | Choi, P.H, Tong, L. | | Deposit date: | 2014-07-04 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Cyclic Dinucleotide c-di-AMP Is an Allosteric Regulator of Metabolic Enzyme Function.
Cell(Cambridge,Mass.), 158, 2014
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4QSH
 | | Crystal Structure of L. monocytogenes Pyruvate Carboxylase in complex with Cyclic-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, CITRATE ANION, MANGANESE (II) ION, ... | | Authors: | Choi, P.H, Tong, L. | | Deposit date: | 2014-07-04 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | The Cyclic Dinucleotide c-di-AMP Is an Allosteric Regulator of Metabolic Enzyme Function.
Cell(Cambridge,Mass.), 158, 2014
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4XJ1
 | | Crystal structure of Vibrio cholerae DncV apo form | | Descriptor: | 1,2-ETHANEDIOL, Cyclic AMP-GMP synthase | | Authors: | Kato, K, Ishii, R, Ishitani, R, Nureki, O. | | Deposit date: | 2015-01-08 | | Release date: | 2015-04-29 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural Basis for the Catalytic Mechanism of DncV, Bacterial Homolog of Cyclic GMP-AMP Synthase
Structure, 23, 2015
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4XJ4
 | | Crystal structure of Vibrio cholerae DncV 3'-deoxy ATP bound form | | Descriptor: | 1,2-ETHANEDIOL, 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, Cyclic AMP-GMP synthase, ... | | Authors: | Kato, K, Ishii, R, Ishitani, R, Nureki, O. | | Deposit date: | 2015-01-08 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.596 Å) | | Cite: | Structural Basis for the Catalytic Mechanism of DncV, Bacterial Homolog of Cyclic GMP-AMP Synthase
Structure, 23, 2015
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4XJ5
 | | Crystal structure of Vibrio cholerae DncV 3'-deoxy GTP bound form | | Descriptor: | 1,2-ETHANEDIOL, 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE, Cyclic AMP-GMP synthase, ... | | Authors: | Kato, K, Ishii, R, Ishitani, R, Nureki, O. | | Deposit date: | 2015-01-08 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.552 Å) | | Cite: | Structural Basis for the Catalytic Mechanism of DncV, Bacterial Homolog of Cyclic GMP-AMP Synthase
Structure, 23, 2015
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4XJ3
 | | Crystal structure of Vibrio cholerae DncV GTP bound form | | Descriptor: | 1,2-ETHANEDIOL, Cyclic AMP-GMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Kato, K, Ishii, R, Ishitani, R, Nureki, O. | | Deposit date: | 2015-01-08 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Basis for the Catalytic Mechanism of DncV, Bacterial Homolog of Cyclic GMP-AMP Synthase
Structure, 23, 2015
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1U7Q
 | | THE SOLUTION STRUCTURE OF THE NUCLEOTIDE BINDING DOMAIN OF KDPB | | Descriptor: | Potassium-transporting ATPase B chain | | Authors: | Haupt, M, Bramkamp, M, Coles, M, Altendorf, K, Kessler, H. | | Deposit date: | 2004-08-04 | | Release date: | 2004-09-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Inter-domain motions of the N-domain of the KdpFABC complex, a P-type ATPase, are not driven by ATP-induced conformational changes.
J.Mol.Biol., 342, 2004
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4O67
 | | Human cyclic GMP-AMP synthase (cGAS) in complex with GAMP | | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | | Authors: | Zhang, X, Chen, Z, Zhang, X.W, Chen, Z.J. | | Deposit date: | 2013-12-20 | | Release date: | 2014-02-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.444 Å) | | Cite: | The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop.
Cell Rep, 6, 2014
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6AC9
 | | Crystal structure of human Vaccinia-related kinase 1 (VRK1) in complex with AMP-PNP | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Ngow, Y.S, Sreekanth, R, Yoon, H.S. | | Deposit date: | 2018-07-25 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structure of human vaccinia-related kinase 1 in complex with AMP-PNP, a non-hydrolyzable ATP analog.
Protein Sci., 28, 2019
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1RO6
 | | Crystal structure of PDE4B2B complexed with Rolipram (R & S) | | Descriptor: | ARSENIC, MANGANESE (II) ION, ROLIPRAM, ... | | Authors: | Xu, R.X, Rocque, W.J, Lambert, M.H, Vanderwall, D.E, Nolte, R.T. | | Deposit date: | 2003-12-01 | | Release date: | 2004-12-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the catalytic domain of phosphodiesterase 4B complexed with AMP, 8-Br-AMP, and rolipram.
J.Mol.Biol., 337, 2004
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1GPA
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