2FJB
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![BU of 2fjb by Molmil](/molmil-images/mine/2fjb) | Adenosine-5'-phosphosulfate reductase im complex with products | Descriptor: | (S)-10-((2S,3S,4R)-5-((S)-((S)-(((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHOXY)(HYDROXY)PHOSPHORYLOXY)(HYDROXY)PHOSPHORYLOXY)-2,3,4-TRIHYDROXYPENTYL)-7,8-DIMETHYL-2,4-DIOXO-2,3,4,4A-TETRAHYDROBENZO[G]PTERIDINE-5(10H)-SULFONIC ACID, ADENOSINE MONOPHOSPHATE, IRON/SULFUR CLUSTER, ... | Authors: | Schiffer, A, Fritz, G, Kroneck, P.M, Ermler, U. | Deposit date: | 2006-01-02 | Release date: | 2006-03-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Reaction mechanism of the iron-sulfur flavoenzyme adenosine-5'-phosphosulfate reductase based on the structural characterization of different enzymatic states Biochemistry, 45, 2006
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2FJE
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![BU of 2fje by Molmil](/molmil-images/mine/2fje) | adenosine-5-phosphosulfate reductase oxidized state | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, adenylylsulfate reductase, ... | Authors: | Schiffer, A, Fritz, G, Kroneck, P.M, Ermler, U. | Deposit date: | 2006-01-02 | Release date: | 2006-03-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Reaction mechanism of the iron-sulfur flavoenzyme adenosine-5'-phosphosulfate reductase based on the structural characterization of different enzymatic states Biochemistry, 45, 2006
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2FJD
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![BU of 2fjd by Molmil](/molmil-images/mine/2fjd) | adenosine-5-phosphosulfate reductase in complex with sulfite (covalent adduct) | Descriptor: | (S)-10-((2S,3S,4R)-5-((S)-((S)-(((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHOXY)(HYDROXY)PHOSPHORYLOXY)(HYDROXY)PHOSPHORYLOXY)-2,3,4-TRIHYDROXYPENTYL)-7,8-DIMETHYL-2,4-DIOXO-2,3,4,4A-TETRAHYDROBENZO[G]PTERIDINE-5(10H)-SULFONIC ACID, IRON/SULFUR CLUSTER, adenylylsulfate reductase, ... | Authors: | Schiffer, A, Fritz, G, Kroneck, P.M, Ermler, U. | Deposit date: | 2006-01-02 | Release date: | 2006-03-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Reaction mechanism of the iron-sulfur flavoenzyme adenosine-5'-phosphosulfate reductase based on the structural characterization of different enzymatic states Biochemistry, 45, 2006
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2FJA
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![BU of 2fja by Molmil](/molmil-images/mine/2fja) | adenosine 5'-phosphosulfate reductase in complex with substrate | Descriptor: | ADENOSINE-5'-PHOSPHOSULFATE, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, ... | Authors: | Schiffer, A, Fritz, G, Kroneck, P.M, Ermler, U. | Deposit date: | 2006-01-02 | Release date: | 2006-03-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reaction mechanism of the iron-sulfur flavoenzyme adenosine-5'-phosphosulfate reductase based on the structural characterization of different enzymatic states Biochemistry, 45, 2006
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3MMC
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![BU of 3mmc by Molmil](/molmil-images/mine/3mmc) | Structure of the dissimilatory sulfite reductase from Archaeoglobus fulgidus | Descriptor: | GLYCEROL, IRON/SULFUR CLUSTER, SIROHEME, ... | Authors: | Schiffer, A, Parey, K, Warkentin, E, Diederichs, K, Huber, H, Stetter, K.O, Kroneck, P.M.H, Ermler, U. | Deposit date: | 2010-04-19 | Release date: | 2010-05-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure of the dissimilatory sulfite reductase from the hyperthermophilic archaeon Archaeoglobus fulgidus. J.Mol.Biol., 379, 2008
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4YXS
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![BU of 4yxs by Molmil](/molmil-images/mine/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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4YXR
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![BU of 4yxr by Molmil](/molmil-images/mine/4yxr) | CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH inhibitor. | Descriptor: | 3-methyl-2H-indazole, 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: | 2015-05-27 | Last modified: | 2015-06-03 | Method: | X-RAY DIFFRACTION (2 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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3DNE
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![BU of 3dne by Molmil](/molmil-images/mine/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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3DND
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![BU of 3dnd by Molmil](/molmil-images/mine/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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1JNR
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![BU of 1jnr by Molmil](/molmil-images/mine/1jnr) | Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6 resolution | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Fritz, G, Roth, A, Schiffer, A, Buechert, T, Bourenkov, G, Bartunik, H.D, Huber, H, Stetter, K.O, Kroneck, P.M.H, Ermler, U. | Deposit date: | 2001-07-25 | Release date: | 2002-02-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6-A resolution Proc.Natl.Acad.Sci.USA, 99, 2002
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1JNZ
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![BU of 1jnz by Molmil](/molmil-images/mine/1jnz) | Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6 resolution | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, SULFITE ION, ... | Authors: | Fritz, G, Roth, A, Schiffer, A, Buechert, T, Bourenkov, G, Bartunik, H.D, Huber, H, Stetter, K.O, Kroneck, P.M, Ermler, U. | Deposit date: | 2001-07-26 | Release date: | 2002-03-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6-A resolution Proc.Natl.Acad.Sci.USA, 99, 2002
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4C4Z
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![BU of 4c4z by Molmil](/molmil-images/mine/4c4z) | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A8 | Descriptor: | 1-ethyl-3-naphthalen-1-ylurea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | Authors: | Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C. | Deposit date: | 2013-09-09 | Release date: | 2014-10-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.06 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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4C4Y
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![BU of 4c4y by Molmil](/molmil-images/mine/4c4y) | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A4 | Descriptor: | 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | Authors: | Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C. | Deposit date: | 2013-09-09 | Release date: | 2014-10-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.41 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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4C4X
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![BU of 4c4x by Molmil](/molmil-images/mine/4c4x) | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with C9 | Descriptor: | 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | Authors: | Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C. | Deposit date: | 2013-09-09 | Release date: | 2014-10-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.17 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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4IJ9
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![BU of 4ij9 by Molmil](/molmil-images/mine/4ij9) | Bovine PKA C-alpha in complex with 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone | Descriptor: | 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Dreyer, M.K, Schiffer, A. | Deposit date: | 2012-12-21 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring J.Am.Chem.Soc., 135, 2013
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4IE9
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![BU of 4ie9 by Molmil](/molmil-images/mine/4ie9) | Bovine PKA C-alpha in complex with 3-pyridylmethyl-5-methyl-1H-pyrazole-3-carboxylate | Descriptor: | GLYCEROL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ... | Authors: | Dreyer, M.K, Schiffer, A, Lodge, J. | Deposit date: | 2012-12-13 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring J.Am.Chem.Soc., 135, 2013
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