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2FJE
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BU of 2fje by Molmil
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
2FJD
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BU of 2fjd by Molmil
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
2FJB
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BU of 2fjb by Molmil
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
2FJA
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BU of 2fja by Molmil
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
3MMC
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BU of 3mmc by Molmil
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
4YXS
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BU of 4yxs by Molmil
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
4YXR
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BU of 4yxr by Molmil
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
3DND
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BU of 3dnd by Molmil
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
3DNE
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BU of 3dne by Molmil
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
4C4Z
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BU of 4c4z by Molmil
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:2021-02-24
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
4C4Y
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BU of 4c4y by Molmil
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
4C4X
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BU of 4c4x by Molmil
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
1JNR
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BU of 1jnr by Molmil
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
1JNZ
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BU of 1jnz by Molmil
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
4IE9
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BU of 4ie9 by Molmil
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
4IJ9
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BU of 4ij9 by Molmil
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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