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PDB: 183 results

1SQL
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BU of 1sql by Molmil
Crystal structure of 7,8-dihydroneopterin aldolase in complex with guanine
Descriptor: GUANINE, dihydroneopterin aldolase
Authors:Bauer, S, Schott, A.K, Illarionova, V, Bacher, A, Huber, R, Fischer, M.
Deposit date:2004-03-19
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biosynthesis of Tetrahydrofolate in Plants: Crystal Structure of 7,8-Dihydroneopterin Aldolase from Arabidopsis thaliana Reveals a Novel Adolase Class.
J.Mol.Biol., 339, 2004
1N3T
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BU of 1n3t by Molmil
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
5JWV
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BU of 5jwv by Molmil
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
5JWT
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BU of 5jwt by Molmil
T4 Lysozyme L99A/M102Q with Benzene Bound
Descriptor: BENZENE, 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 (1.41 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
5JWU
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BU of 5jwu by Molmil
T4 Lysozyme L99A/M102Q with 1,2-Dihydro-1,2-azaborine Bound
Descriptor: 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 (1.7 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
5JWS
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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
5JWW
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BU of 5jww by Molmil
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
1N3S
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BU of 1n3s by Molmil
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
7AD2
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BU of 7ad2 by Molmil
Linalool Dehydratase Isomerase G107T mutant
Descriptor: Linalool dehydratase/isomerase, MALONATE ION
Authors:Cuetos, A, Fischer, M.P, Hauer, B, Grogan, G.
Deposit date:2020-09-14
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Linalool Dehydratase Isomerase G107T mutant
To Be Published
4JM8
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BU of 4jm8 by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,6-diaminopyridine
Descriptor: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Boyce, S.E, Fischer, M, Fish, I.
Deposit date:2013-03-13
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JMA
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BU of 4jma by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-Fluorocatechol
Descriptor: 3-FLUOROBENZENE-1,2-DIOL, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Boyce, S.E, Fischer, M, Fish, I.
Deposit date:2013-03-13
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JM5
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BU of 4jm5 by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-Amino-5-methylthiazole
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, ...
Authors:Boyce, S.E, Fischer, M, Fish, I, Shoichet, B.K.
Deposit date:2013-03-13
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JM9
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BU of 4jm9 by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-amino-1-methylpyridinium
Descriptor: 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE, Cytochrome c peroxidase, IODIDE ION, ...
Authors:Boyce, S.E, Fischer, M, Fish, I.
Deposit date:2013-03-13
Release date:2013-05-01
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
4JM6
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BU of 4jm6 by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,4-diaminopyrimidine
Descriptor: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Boyce, S.E, Fischer, M, Fish, I.
Deposit date:2013-03-13
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
1N06
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BU of 1n06 by Molmil
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
1N08
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BU of 1n08 by Molmil
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
1N07
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BU of 1n07 by Molmil
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
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
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
1TKU
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BU of 1tku by Molmil
Crystal Structure of 3,4-Dihydroxy-2-butanone 4-phosphate Synthase of Candida albicans in complex with Ribulose-5-phosphate
Descriptor: 3,4-Dihydroxy-2-butanone 4-phosphate Synthase, RIBULOSE-5-PHOSPHATE
Authors:Echt, S, Bauer, S, Steinbacher, S, Huber, R, Bacher, A, Fischer, M.
Deposit date:2004-06-09
Release date:2004-09-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Potential anti-infective targets in pathogenic yeasts: structure and properties of 3,4-dihydroxy-2-butanone 4-phosphate synthase of Candida albicans.
J.Mol.Biol., 341, 2004
1TKS
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BU of 1tks by Molmil
Crystal structure of 3,4-Dihydroxy-2-butanone 4-phosphate Synthase of Candida albicans
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase
Authors:Echt, S, Bauer, S, Steinbacher, S, Huber, R, Bacher, A, Fischer, M.
Deposit date:2004-06-09
Release date:2004-09-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Potential anti-infective targets in pathogenic yeasts: structure and properties of 3,4-dihydroxy-2-butanone 4-phosphate synthase of Candida albicans.
J.Mol.Biol., 341, 2004
4JMZ
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BU of 4jmz by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with N-methyl-1H-benzimidazol-2-amine
Descriptor: Cytochrome c peroxidase, N-methyl-1H-benzimidazol-2-amine, PROTOPORPHYRIN IX CONTAINING FE
Authors:Barelier, S, Fischer, M.
Deposit date:2013-03-14
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Roles for ordered and bulk solvent in ligand recognition and docking in two related cavities.
Plos One, 8, 2013
4JQJ
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Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinoline
Descriptor: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
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 (1.6 Å)
Cite:Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JMV
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Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with imidazo[1,2-a]pyridin-6-amine
Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, imidazo[1,2-a]pyridin-6-amine
Authors:Barelier, S, Fischer, M.
Deposit date:2013-03-14
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
4JN0
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Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde
Descriptor: 1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Barelier, S, Fischer, M.
Deposit date:2013-03-14
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.864 Å)
Cite:Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
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
Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, imidazo[1,2-a]pyridin-5-amine
Authors:Barelier, S, Fischer, M.
Deposit date:2013-03-14
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published

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