5JWS
 
 | | T4 Lysozyme L99A with 1-Hydro-2-ethyl-1,2-azaborine Bound | | Descriptor: | 2-ethyl-1,2-dihydro-1,2-azaborinine, CHLORIDE ION, Endolysin | | Authors: | Lee, H, Fischer, M, Shoichet, B.K, Liu, S.-Y. | | Deposit date: | 2016-05-12 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics.
J.Am.Chem.Soc., 138, 2016
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5JWV
 | | T4 Lysozyme L99A/M102Q with Ethylbenzene Bound | | Descriptor: | Endolysin, PHENYLETHANE | | Authors: | Lee, H, Fischer, M, Shoichet, B.K, Liu, S.-Y. | | Deposit date: | 2016-05-12 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics.
J.Am.Chem.Soc., 138, 2016
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5JWW
 | | T4 Lysozyme L99A/M102Q with 1-Hydro-2-ethyl-1,2-azaborine Bound | | Descriptor: | 2-ethyl-1,2-dihydro-1,2-azaborinine, CHLORIDE ION, Endolysin | | Authors: | Lee, H, Fischer, M, Shoichet, B.K, Liu, S.-Y. | | Deposit date: | 2016-05-12 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics.
J.Am.Chem.Soc., 138, 2016
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1HQK
 | | CRYSTAL STRUCTURE ANALYSIS OF LUMAZINE SYNTHASE FROM AQUIFEX AEOLICUS | | Descriptor: | 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE | | Authors: | Zhang, X, Meining, W, Fischer, M, Bacher, A, Ladenstein, R. | | Deposit date: | 2000-12-18 | | Release date: | 2001-12-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray structure analysis and crystallographic refinement of lumazine synthase from the hyperthermophile Aquifex aeolicus at 1.6 A resolution: determinants of thermostability revealed from structural comparisons.
J.Mol.Biol., 306, 2001
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1NQU
 | | Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 6,7-dioxo-5H-8-ribitylaminolumazine | | Descriptor: | 6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | | Authors: | Zhang, X, Meining, W, Cushman, M, Haase, I, Fischer, M, Bacher, A, Ladenstein, R. | | Deposit date: | 2003-01-23 | | Release date: | 2004-01-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A structure-based model of the reaction catalyzed by lumazine synthase from Aquifex aeolicus.
J.Mol.Biol., 328, 2003
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1NQV
 | | Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 5-nitroso-6-ribityl-amino-2,4(1H,3H)pyrimidinedione | | Descriptor: | 5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | | Authors: | Zhang, X, Meining, W, Cushman, M, Haase, I, Fischer, M, Bacher, A, Ladenstein, R. | | Deposit date: | 2003-01-23 | | Release date: | 2004-01-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A structure-based model of the reaction catalyzed by lumazine synthase from Aquifex aeolicus.
J.Mol.Biol., 328, 2003
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1Z4A
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1XIY
 | | Crystal Structure of Plasmodium falciparum antioxidant protein (1-Cys peroxiredoxin) | | Descriptor: | peroxiredoxin | | Authors: | Sarma, G.N, Fischer, M, Nickel, C, Becker, K, Karplus, P.A. | | Deposit date: | 2004-09-22 | | Release date: | 2005-02-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a novel Plasmodium falciparum 1-Cys peroxiredoxin.
J.Mol.Biol., 346, 2005
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1NQW
 | | Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 5-(6-D-ribitylamino-2,4(1H,3H)pyrimidinedione-5-yl)-1-pentyl-phosphonic acid | | Descriptor: | 5-(6-D-RIBITYLAMINO-2,4(1H,3H)PYRIMIDINEDIONE-5-YL) PENTYL-1-PHOSPHONIC ACID, 6,7-dimethyl-8-ribityllumazine synthase | | Authors: | Zhang, X, Meining, W, Cushman, M, Haase, I, Fischer, M, Bacher, A, Ladenstein, R. | | Deposit date: | 2003-01-23 | | Release date: | 2004-01-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A structure-based model of the reaction catalyzed by lumazine synthase from Aquifex aeolicus.
J.Mol.Biol., 328, 2003
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1NQX
 | | Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 3-(7-hydroxy-8-ribityllumazine-6-yl)propionic acid | | Descriptor: | 3-(7-HYDROXY-8-RIBITYLLUMAZINE-6-YL) PROPIONIC ACID, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | | Authors: | Zhang, X, Meining, W, Cushman, M, Haase, I, Fischer, M, Bacher, A, Ladenstein, R. | | Deposit date: | 2003-01-23 | | Release date: | 2004-01-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | A structure-based model of the reaction catalyzed by lumazine synthase from Aquifex aeolicus.
J.Mol.Biol., 328, 2003
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2AZN
 | | X-RAY Structure of 2,5-diamino-6-ribosylamino-4(3h)-pyrimidinone 5-phosphate reductase | | Descriptor: | 2-(6-(2-CYCLOHEXYLETHOXY)-TETRAHYDRO-4,5-DIHYDROXY-2(HYDROXYMETHYL)-2H-PYRAN-3-YLOXY)-TETRAHYDRO-6(HYDROXYMETHYL)-2H-PYRAN-3,4,5-TRIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Chatwell, L, Bacher, A, Huber, R, Fischer, M, Krojer, T. | | Deposit date: | 2005-09-12 | | Release date: | 2006-08-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Biosynthesis of riboflavin: structure and properties of 2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate reductase of Methanocaldococcus jannaschii
J.Mol.Biol., 359, 2006
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2F59
 | | Lumazine synthase RibH1 from Brucella abortus (Gene BruAb1_0785, Swiss-Prot entry Q57DY1) complexed with inhibitor 5-Nitro-6-(D-Ribitylamino)-2,4(1H,3H) Pyrimidinedione | | Descriptor: | 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-dimethyl-8-ribityllumazine synthase 1, CALCIUM ION | | Authors: | Klinke, S, Zylberman, V, Bonomi, H.R, Haase, I, Guimaraes, B.G, Braden, B.C, Bacher, A, Fischer, M, Goldbaum, F.A. | | Deposit date: | 2005-11-25 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Kinetic Properties of Lumazine Synthase Isoenzymes in the Order Rhizobiales
J.Mol.Biol., 373, 2007
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1N08
 | | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ZINC ION, putative riboflavin kinase | | Authors: | Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S. | | Deposit date: | 2002-10-11 | | Release date: | 2003-02-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
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1N07
 | | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, PUTATIVE riboflavin kinase | | Authors: | Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S. | | Deposit date: | 2002-10-11 | | Release date: | 2003-02-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
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1N05
 | | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold | | Descriptor: | putative Riboflavin kinase | | Authors: | Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S. | | Deposit date: | 2002-10-11 | | Release date: | 2003-02-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
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1N3R
 | | Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I | | Descriptor: | GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE | | Authors: | Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M. | | Deposit date: | 2002-10-29 | | Release date: | 2003-10-14 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I
J.MOL.BIOL., 326, 2003
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1N06
 | | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PUTATIVE riboflavin kinase | | Authors: | Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S. | | Deposit date: | 2002-10-11 | | Release date: | 2003-02-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
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1N3S
 | | Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I | | Descriptor: | GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE | | Authors: | Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M. | | Deposit date: | 2002-10-29 | | Release date: | 2004-03-02 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I
J.MOL.BIOL., 326, 2003
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1N3T
 | | Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I | | Descriptor: | GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE | | Authors: | Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M. | | Deposit date: | 2002-10-29 | | Release date: | 2003-10-14 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I
J.MOL.BIOL., 326, 2003
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4JMS
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4JQN
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Hydroxybenzaldehyde | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, P-HYDROXYBENZALDEHYDE, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-20 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JMB
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine, Cytochrome c peroxidase, ... | | Authors: | Barelier, S, Fischer, M. | | Deposit date: | 2013-03-13 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
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4JMZ
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4JPL
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Azaindole | | Descriptor: | 1H-pyrrolo[3,2-b]pyridine, Cytochrome c peroxidase, PHOSPHATE ION, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-19 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JQK
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-(2-aminopyridin-1-ium-1-yl)ethanol | | Descriptor: | 2-(2-aminopyridin-1-ium-1-yl)ethanol, Cytochrome c peroxidase, PHOSPHATE ION, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-20 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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