7D4O
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![BU of 7d4o by Molmil](/molmil-images/mine/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
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![BU of 7d4j by Molmil](/molmil-images/mine/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
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![BU of 7d48 by Molmil](/molmil-images/mine/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
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![BU of 2oun by Molmil](/molmil-images/mine/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
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![BU of 6lrc by Molmil](/molmil-images/mine/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
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![BU of 6lrl by Molmil](/molmil-images/mine/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
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![BU of 6lrj by Molmil](/molmil-images/mine/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
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![BU of 6e5y by Molmil](/molmil-images/mine/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
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![BU of 7sii by Molmil](/molmil-images/mine/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
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![BU of 2our by Molmil](/molmil-images/mine/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
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![BU of 4s1b by Molmil](/molmil-images/mine/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
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![BU of 5vyz by Molmil](/molmil-images/mine/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
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![BU of 5vz0 by Molmil](/molmil-images/mine/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
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![BU of 4xtt by Molmil](/molmil-images/mine/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
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![BU of 4qsk by Molmil](/molmil-images/mine/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
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![BU of 4qsh by Molmil](/molmil-images/mine/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
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![BU of 4xj1 by Molmil](/molmil-images/mine/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
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![BU of 4xj4 by Molmil](/molmil-images/mine/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
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![BU of 4xj5 by Molmil](/molmil-images/mine/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
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![BU of 4xj3 by Molmil](/molmil-images/mine/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
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![BU of 1u7q by Molmil](/molmil-images/mine/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
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![BU of 4o67 by Molmil](/molmil-images/mine/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
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![BU of 6ac9 by Molmil](/molmil-images/mine/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
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![BU of 1ro6 by Molmil](/molmil-images/mine/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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![BU of 1gpa by Molmil](/molmil-images/mine/1gpa) | |