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2WY4
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BU of 2wy4 by Molmil
Structure of bacterial globin from Campylobacter jejuni at 1.35 A resolution
Descriptor: CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SINGLE DOMAIN HAEMOGLOBIN
Authors:Barynin, V.V, Sedelnikova, S.E, Shepherd, M, Wu, G, Poole, R.K, Rice, D.W.
Deposit date:2009-11-11
Release date:2010-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The Single-Domain Globin from the Pathogenic Bacterium Campylobacter Jejuni: Novel D-Helix Conformation, Proximal Hydrogen Bonding that Influences Ligand Binding, and Peroxidase-Like Redox Properties.
J.Biol.Chem., 285, 2010
4PW9
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BU of 4pw9 by Molmil
Crystal structure of the electron-transfer complex formed between a sulfite dehydrogenase and a c-type cytochrome from Sinorhizobium meliloti
Descriptor: (MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM, HEME C, Putative cytochrome C, ...
Authors:McGrath, A.P, Maher, M.J.
Deposit date:2014-03-19
Release date:2015-06-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural basis of interprotein electron transfer in bacterial sulfite oxidation.
Elife, 4, 2015
4PWA
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BU of 4pwa by Molmil
Crystal structure of the c-type cytochrome SorU from Sinorhizobium meliloti
Descriptor: HEME C, Putative cytochrome C
Authors:Laming, E.M, McGrath, A.P, Maher, M.J.
Deposit date:2014-03-19
Release date:2015-06-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis of interprotein electron transfer in bacterial sulfite oxidation.
Elife, 4, 2015
4PW3
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BU of 4pw3 by Molmil
Crystal structure of the sulfite dehydrogenase SorT from Sinorhizobium meliloti
Descriptor: (MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM, 1,2-ETHANEDIOL, Putative sulfite oxidase
Authors:McGrath, A.P, Maher, M.J.
Deposit date:2014-03-18
Release date:2015-06-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis of interprotein electron transfer in bacterial sulfite oxidation.
Elife, 4, 2015
6U3K
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BU of 6u3k by Molmil
The crystal structure of 4-(pyridin-2-yl)benzoate-bound CYP199A4
Descriptor: 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2019-08-21
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases.
Biochemistry, 59, 2020
5WA0
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BU of 5wa0 by Molmil
Crystal Structure of the sulfite dehydrogenase, SorT R78Q mutant from Sinorhizobium meliloti
Descriptor: (MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM, Putative sulfite oxidase
Authors:Maher, M.J.
Deposit date:2017-06-24
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The central active site arginine in sulfite oxidizing enzymes alters kinetic properties by controlling electron transfer and redox interactions.
Biochim. Biophys. Acta, 1859, 2017
7N14
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BU of 7n14 by Molmil
Crystal structure of 4-(1H-1,2,4-triazol-1-yl)benzoic acid-bound CYP199A4
Descriptor: 4-(1H-1,2,4-triazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2021-05-26
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.537 Å)
Cite:To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme.
Inorg.Chem., 61, 2022
7KCS
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BU of 7kcs by Molmil
The crystal structure of 4-vinylbenzoate-bound wild-type CYP199A4
Descriptor: 4-ethenylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2020-10-07
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.773 Å)
Cite:Understanding the Mechanistic Requirements for Efficient and Stereoselective Alkene Epoxidation by a Cytochrome P450 Enzyme
Acs Catalysis, 11, 2021
7L5S
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BU of 7l5s by Molmil
Crystal Structure of Haemophilus influenzae MtsZ at pH 5.5
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, MOLYBDENUM ATOM, OXYGEN ATOM, ...
Authors:Struwe, M.A, Luo, Z, Kappler, U, Kobe, B.
Deposit date:2020-12-22
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Active site architecture reveals coordination sphere flexibility and specificity determinants in a group of closely related molybdoenzymes.
J.Biol.Chem., 296, 2021
7L5I
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BU of 7l5i by Molmil
Crystal Structure of Haemophilus influenzae MtsZ at pH 7.0
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Struwe, M.A, Luo, Z, Kappler, U, Kobe, B.
Deposit date:2020-12-22
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.733 Å)
Cite:Active site architecture reveals coordination sphere flexibility and specificity determinants in a group of closely related molybdoenzymes.
J.Biol.Chem., 296, 2021
6U30
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BU of 6u30 by Molmil
The crystal structure of 4-pyridin-3-ylbenzoate-bound CYP199A4
Descriptor: 4-(pyridin-3-yl)benzoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2019-08-21
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases.
Biochemistry, 59, 2020
6U31
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BU of 6u31 by Molmil
The crystal structure of 4-(1H-imidazol-1-yl)benzoate-bound CYP199A4
Descriptor: 4-(1H-imidazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2019-08-21
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.578 Å)
Cite:To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme.
Inorg.Chem., 61, 2022
6WZP
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BU of 6wzp by Molmil
The crystal structure of 4-vinylbenzoate-bound T252A mutant CYP199A4
Descriptor: 4-ethenylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2020-05-14
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Understanding the Mechanistic Requirements for Efficient and Stereoselective Alkene Epoxidation by a Cytochrome P450 Enzyme
Acs Catalysis, 11, 2021
3OCD
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BU of 3ocd by Molmil
Diheme SoxAX - C236M mutant
Descriptor: HEME C, SoxA, SoxX
Authors:Maher, M.J.
Deposit date:2010-08-09
Release date:2011-05-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Diheme SoxAX proteins - insights into structure and function of the active site
To be Published
3OA8
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BU of 3oa8 by Molmil
Diheme SoxAX
Descriptor: HEME C, SULFATE ION, SoxA, ...
Authors:Maher, M.J.
Deposit date:2010-08-04
Release date:2011-05-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Diheme SoxAX proteins - insights into structure and function of the active site
To be Published
5K3X
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BU of 5k3x by Molmil
Crystal Structure of the sulfite dehydrogenase, SorT R78K mutant from Sinorhizobium meliloti
Descriptor: (MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM, GLYCEROL, Putative sulfite oxidase
Authors:Lee, M, McGrath, A, Maher, M.
Deposit date:2016-05-20
Release date:2017-05-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The central active site arginine in sulfite oxidizing enzymes alters kinetic properties by controlling electron transfer and redox interactions.
Biochim. Biophys. Acta, 1859, 2017
7REH
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BU of 7reh by Molmil
Crystal structure of T252E CYP199A4 bound to 4-methoxybenzoic acid
Descriptor: 4-METHOXYBENZOIC ACID, ACETATE ION, CHLORIDE ION, ...
Authors:Podgorski, M.N, Bruning, J.B, Bell, S.G.
Deposit date:2021-07-12
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.545 Å)
Cite:An Altered Heme Environment in an Engineered Cytochrome P450 Enzyme Enables the Switch from Monooxygenase to Peroxygenase Activity
Acs Catalysis, 2022
8BAC
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BU of 8bac by Molmil
Crystal structure of human heparanase in complex with competitive inhibitor GD05
Descriptor: (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Armstrong, Z, Davies, G.J.
Deposit date:2022-10-11
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthesis of Uronic Acid 1-Azasugars as Putative Inhibitors of alpha-Iduronidase, beta-Glucuronidase and Heparanase.
Chembiochem, 24, 2023
2CA3
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BU of 2ca3 by Molmil
Sulfite dehydrogenase from Starkeya Novella r55m mutant
Descriptor: (MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM, HEME C, SULFATE ION, ...
Authors:Bailey, S, Kappler, U, Feng, C, Honeychurch, M.J, Bernhardt, P.V, Tollin, G, Enemark, J.H.
Deposit date:2005-12-16
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for enzymatic sulfite oxidation: how three conserved active site residues shape enzyme activity.
J.Biol.Chem., 284, 2009

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