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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
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
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
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
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
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
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
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
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
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
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
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
5JQR
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BU of 5jqr by Molmil
The Structure of Ascorbate Peroxidase Compound II formed by reaction with m-CPBA
Descriptor: Ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kwon, H, Raven, E.L, Moody, P.C.E.
Deposit date:2016-05-05
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Direct visualization of a Fe(IV)-OH intermediate in a heme enzyme.
Nat Commun, 7, 2016
2RBY
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BU of 2rby by Molmil
1-methyl-5-imidazolecarboxaldehyde in complex with Cytochrome C Peroxidase W191G
Descriptor: 1-methyl-1H-imidazole-5-carbaldehyde, Cytochrome C Peroxidase, PHOSPHATE ION, ...
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RC1
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BU of 2rc1 by Molmil
Cytochrome C Peroxidase W191G in complex with 2,4,5-trimethyl-3-oxazoline
Descriptor: (2R,4R,5R)-2,4,5-trimethyl-1,3-oxazolidine, Cytochrome C Peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
5KQ6
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BU of 5kq6 by Molmil
Crystal structure of the A359D variant of catalase-peroxidase from B. pseudomallei
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-07-05
Release date:2017-04-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine.
Biochemistry, 56, 2017
5KQH
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BU of 5kqh by Molmil
Crystal structure of the V293D variant of catalase-peroxidase from B. pseudomallei
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-07-06
Release date:2017-04-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine.
Biochemistry, 56, 2017
2RBX
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BU of 2rbx by Molmil
Cytochrome C Peroxidase W191G in complex with pyrimidine-2,4,6-triamine.
Descriptor: Cytochrome C Peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-19
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
5KQ3
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BU of 5kq3 by Molmil
Crystal structure of the D141A/Q233E variant of catalase-peroxidase from B. pseudomallei
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-07-05
Release date:2017-04-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine.
Biochemistry, 56, 2017
5KQ0
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BU of 5kq0 by Molmil
Crystal structure of the A290D variant of catalase-peroxidase from B. pseudomallei
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-07-05
Release date:2017-04-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine.
Biochemistry, 56, 2017

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PDB entries from 2024-09-18

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