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2V2E
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BU of 2v2e by Molmil
Structure of isoniazid (INH) bound to cytochrome c peroxidase mutant N184R Y36A
Descriptor: 4-(DIAZENYLCARBONYL)PYRIDINE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Metcalfe, C.L, Macdonald, I.K, Brown, K.A, Raven, E.L, Moody, P.C.E.
Deposit date:2007-06-05
Release date:2007-12-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:The Tuberculosis Prodrug Isoniazid Bound to Activating Peroxidases.
J.Biol.Chem., 283, 2008
2VO2
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BU of 2vo2 by Molmil
Crystal structure of soybean ascorbate peroxidase mutant W41A subjected to low dose X-rays
Descriptor: ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
Authors:Metcalfe, C.L, Badyal, S.K, Raven, E.L, Moody, P.C.E.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Iron Oxidation State Modulates Active Site Structure in a Heme Peroxidase.
Biochemistry, 47, 2008
4JMB
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BU of 4jmb by Molmil
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
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
4JPT
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BU of 4jpt by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with quinazoline-2,4-diamine
Descriptor: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
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
4JPL
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BU of 4jpl by Molmil
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
4JQK
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BU of 4jqk by Molmil
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
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
2CCD
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BU of 2ccd by Molmil
Crystal structure of the catalase-peroxidase (KatG) and S315T mutant from Mycobacterium tuberculosis
Descriptor: PEROXIDASE/CATALASE T, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yu, H, Sacchettini, J.C.
Deposit date:2006-01-16
Release date:2006-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hydrogen Peroxide-Mediated Isoniazid Activation Catalyzed by Mycobacterium Tuberculosis Catalase- Peroxidase (Katg) and its S315T Mutant.
Biochemistry, 45, 2006
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
4JN0
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BU of 4jn0 by Molmil
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
4JMW
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BU of 4jmw by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with Phenol
Descriptor: Cytochrome c peroxidase, PHENOL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fish, I.
Deposit date:2013-03-14
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JB4
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BU of 4jb4 by Molmil
Expression, Purification, Characterization, and Solution NMR Study of Highly Deuterated Yeast Cytochrome c Peroxidase with Enhanced Solubility
Descriptor: Cytochrome c peroxidase, mitochondrial, FLUORIDE ION, ...
Authors:Wohlkonig, A.C.
Deposit date:2013-02-19
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Expression, purification, characterization, and solution nuclear magnetic resonance study of highly deuterated yeast cytochrome C peroxidase with enhanced solubility.
Biochemistry, 52, 2013
4JQJ
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BU of 4jqj by Molmil
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
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
4JMV
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BU of 4jmv by Molmil
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
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
2GHH
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BU of 2ghh by Molmil
Conformational mobility in the active site of a heme peroxidase
Descriptor: NITRIC OXIDE, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Badyal, S.K, Joyce, M.G, Sharp, K.H, Raven, E.L, Moody, P.C.E.
Deposit date:2006-03-27
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.013 Å)
Cite:Conformational Mobility in the Active Site of a Heme Peroxidase.
J.Biol.Chem., 281, 2006
2GHE
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BU of 2ghe by Molmil
Conformational mobility in the active site of a heme peroxidase
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, cytosolic ascorbate peroxidase 1
Authors:Badyal, S.K, Joyce, M.G, Sharp, K.H, Raven, E.L, Moody, P.C.E.
Deposit date:2006-03-27
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Conformational Mobility in the Active Site of a Heme Peroxidase.
J.Biol.Chem., 281, 2006
2GHC
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BU of 2ghc by Molmil
Conformational mobility in the active site of a heme peroxidase
Descriptor: NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
Authors:Badyal, S.K, Joyce, M.G, Sharp, K.H, Raven, E.L, Moody, P.C.
Deposit date:2006-03-27
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Conformational Mobility in the Active Site of a Heme Peroxidase.
J.Biol.Chem., 281, 2006
4JQN
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BU of 4jqn by Molmil
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
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
4JMT
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BU of 4jmt by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 1H-pyrrolo[3,2-b]pyridin-6-ylmethanol
Descriptor: 1H-pyrrolo[3,2-b]pyridin-6-ylmethanol, 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 (1.6 Å)
Cite:Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
4JPU
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BU of 4jpu by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with Benzamidine
Descriptor: BENZAMIDINE, 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
4JQM
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BU of 4jqm by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinazoline
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 (1.41 Å)
Cite:Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013

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數據於2024-09-11公開中

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