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5JWS
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BU of 5jws by Molmil
T4 Lysozyme L99A with 1-Hydro-2-ethyl-1,2-azaborine Bound
分子名称: 2-ethyl-1,2-dihydro-1,2-azaborinine, CHLORIDE ION, Endolysin
著者Lee, H, Fischer, M, Shoichet, B.K, Liu, S.-Y.
登録日2016-05-12
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics.
J.Am.Chem.Soc., 138, 2016
5JWV
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T4 Lysozyme L99A/M102Q with Ethylbenzene Bound
分子名称: Endolysin, PHENYLETHANE
著者Lee, H, Fischer, M, Shoichet, B.K, Liu, S.-Y.
登録日2016-05-12
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics.
J.Am.Chem.Soc., 138, 2016
5JWW
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T4 Lysozyme L99A/M102Q with 1-Hydro-2-ethyl-1,2-azaborine Bound
分子名称: 2-ethyl-1,2-dihydro-1,2-azaborinine, CHLORIDE ION, Endolysin
著者Lee, H, Fischer, M, Shoichet, B.K, Liu, S.-Y.
登録日2016-05-12
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics.
J.Am.Chem.Soc., 138, 2016
1HQK
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BU of 1hqk by Molmil
CRYSTAL STRUCTURE ANALYSIS OF LUMAZINE SYNTHASE FROM AQUIFEX AEOLICUS
分子名称: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE
著者Zhang, X, Meining, W, Fischer, M, Bacher, A, Ladenstein, R.
登録日2000-12-18
公開日2001-12-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
1NQU
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Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 6,7-dioxo-5H-8-ribitylaminolumazine
分子名称: 6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
著者Zhang, X, Meining, W, Cushman, M, Haase, I, Fischer, M, Bacher, A, Ladenstein, R.
登録日2003-01-23
公開日2004-01-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A structure-based model of the reaction catalyzed by lumazine synthase from Aquifex aeolicus.
J.Mol.Biol., 328, 2003
1NQV
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Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 5-nitroso-6-ribityl-amino-2,4(1H,3H)pyrimidinedione
分子名称: 5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
著者Zhang, X, Meining, W, Cushman, M, Haase, I, Fischer, M, Bacher, A, Ladenstein, R.
登録日2003-01-23
公開日2004-01-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A structure-based model of the reaction catalyzed by lumazine synthase from Aquifex aeolicus.
J.Mol.Biol., 328, 2003
1Z4A
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BU of 1z4a by Molmil
Ferritin from T. maritima
分子名称: EICOSANE, ferritin
著者Steinbacher, S, Schiffmann, S, Bacher, A, Fischer, M.
登録日2005-03-15
公開日2006-10-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of T. maritima ferritin
To be Published
1XIY
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Crystal Structure of Plasmodium falciparum antioxidant protein (1-Cys peroxiredoxin)
分子名称: peroxiredoxin
著者Sarma, G.N, Fischer, M, Nickel, C, Becker, K, Karplus, P.A.
登録日2004-09-22
公開日2005-02-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a novel Plasmodium falciparum 1-Cys peroxiredoxin.
J.Mol.Biol., 346, 2005
1NQW
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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
分子名称: 5-(6-D-RIBITYLAMINO-2,4(1H,3H)PYRIMIDINEDIONE-5-YL) PENTYL-1-PHOSPHONIC ACID, 6,7-dimethyl-8-ribityllumazine synthase
著者Zhang, X, Meining, W, Cushman, M, Haase, I, Fischer, M, Bacher, A, Ladenstein, R.
登録日2003-01-23
公開日2004-01-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A structure-based model of the reaction catalyzed by lumazine synthase from Aquifex aeolicus.
J.Mol.Biol., 328, 2003
1NQX
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Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 3-(7-hydroxy-8-ribityllumazine-6-yl)propionic acid
分子名称: 3-(7-HYDROXY-8-RIBITYLLUMAZINE-6-YL) PROPIONIC ACID, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
著者Zhang, X, Meining, W, Cushman, M, Haase, I, Fischer, M, Bacher, A, Ladenstein, R.
登録日2003-01-23
公開日2004-01-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A structure-based model of the reaction catalyzed by lumazine synthase from Aquifex aeolicus.
J.Mol.Biol., 328, 2003
2AZN
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X-RAY Structure of 2,5-diamino-6-ribosylamino-4(3h)-pyrimidinone 5-phosphate reductase
分子名称: 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, ...
著者Chatwell, L, Bacher, A, Huber, R, Fischer, M, Krojer, T.
登録日2005-09-12
公開日2006-08-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
2F59
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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
分子名称: 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-dimethyl-8-ribityllumazine synthase 1, CALCIUM ION
著者Klinke, S, Zylberman, V, Bonomi, H.R, Haase, I, Guimaraes, B.G, Braden, B.C, Bacher, A, Fischer, M, Goldbaum, F.A.
登録日2005-11-25
公開日2006-11-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Kinetic Properties of Lumazine Synthase Isoenzymes in the Order Rhizobiales
J.Mol.Biol., 373, 2007
1N08
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Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
分子名称: ADENOSINE-5'-DIPHOSPHATE, ZINC ION, putative riboflavin kinase
著者Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S.
登録日2002-10-11
公開日2003-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
1N07
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Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
分子名称: ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, PUTATIVE riboflavin kinase
著者Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S.
登録日2002-10-11
公開日2003-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
1N05
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BU of 1n05 by Molmil
Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
分子名称: putative Riboflavin kinase
著者Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S.
登録日2002-10-11
公開日2003-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
1N3R
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Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I
分子名称: GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE
著者Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M.
登録日2002-10-29
公開日2003-10-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I
J.MOL.BIOL., 326, 2003
1N06
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Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
分子名称: ADENOSINE-5'-DIPHOSPHATE, PUTATIVE riboflavin kinase
著者Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S.
登録日2002-10-11
公開日2003-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
1N3S
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Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I
分子名称: GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE
著者Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M.
登録日2002-10-29
公開日2004-03-02
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I
J.MOL.BIOL., 326, 2003
1N3T
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Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I
分子名称: GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE
著者Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M.
登録日2002-10-29
公開日2003-10-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I
J.MOL.BIOL., 326, 2003
4JMS
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BU of 4jms by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with imidazo[1,2-a]pyridin-5-amine
分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, imidazo[1,2-a]pyridin-5-amine
著者Barelier, S, Fischer, M.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
4JQN
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Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Hydroxybenzaldehyde
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, P-HYDROXYBENZALDEHYDE, ...
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-20
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JMB
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Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine, Cytochrome c peroxidase, ...
著者Barelier, S, Fischer, M.
登録日2013-03-13
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
4JMZ
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Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with N-methyl-1H-benzimidazol-2-amine
分子名称: Cytochrome c peroxidase, N-methyl-1H-benzimidazol-2-amine, PROTOPORPHYRIN IX CONTAINING FE
著者Barelier, S, Fischer, M.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Roles for ordered and bulk solvent in ligand recognition and docking in two related cavities.
Plos One, 8, 2013
4JPL
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Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Azaindole
分子名称: 1H-pyrrolo[3,2-b]pyridine, Cytochrome c peroxidase, PHOSPHATE ION, ...
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-19
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JQK
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Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-(2-aminopyridin-1-ium-1-yl)ethanol
分子名称: 2-(2-aminopyridin-1-ium-1-yl)ethanol, Cytochrome c peroxidase, PHOSPHATE ION, ...
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-20
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013

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