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6XUC
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BU of 6xuc by Molmil
Structure of coproheme decarboxylase from Corynebacterium diphteriae in complex with coproheme
Descriptor: 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Chlorite dismutase
Authors:Michlits, H, Lier, B, Pfanzagl, V, Djinovic-Carugo, K, Furtmueller, P.G, Oostenbrink, C, Obinger, C, Hofbauer, S.
Deposit date:2020-01-17
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8702 Å)
Cite:Actinobacterial Coproheme Decarboxylases Use Histidine as a Distal Base to Promote Compound I Formation.
Acs Catalysis, 10, 2020
6XUB
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BU of 6xub by Molmil
Structure of coproheme decarboxylase from Corynebacterium diphteriae in complex with monovinyl monopropionyl deuteroheme
Descriptor: Chlorite dismutase, harderoheme (III)
Authors:Michlits, H, Lier, B, Pfanzagl, V, Djinovic-Carugo, K, Furtmueller, P.G, Oostenbrink, C, Obinger, C, Hofbauer, S.
Deposit date:2020-01-17
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Actinobacterial Coproheme Decarboxylases Use Histidine as a Distal Base to Promote Compound I Formation.
Acs Catalysis, 10, 2020
6FKS
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BU of 6fks by Molmil
Crystal structure of a dye-decolorizing peroxidase from Klebsiella pneumoniae (KpDyP)
Descriptor: GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ...
Authors:Pfanzagl, V, Hofbauer, S, Mlynek, G.
Deposit date:2018-01-24
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.60000467 Å)
Cite:Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage.
J. Biol. Chem., 293, 2018
6FL2
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BU of 6fl2 by Molmil
Crystal structure of a dye-decolorizing peroxidase D143A variant from Klebsiella pneumoniae (KpDyP)
Descriptor: GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ...
Authors:Pfanzagl, V, Hofbauer, S, Mlynek, G.
Deposit date:2018-01-25
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.270001 Å)
Cite:Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage.
J. Biol. Chem., 293, 2018
6FIY
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BU of 6fiy by Molmil
Crystal structure of a dye-decolorizing peroxidase D143AR232A variant from Klebsiella pneumoniae (KpDyP)
Descriptor: GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ...
Authors:Pfanzagl, V, Hofbauer, S, Mlynek, G.
Deposit date:2018-01-19
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.09000432 Å)
Cite:Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage.
J. Biol. Chem., 293, 2018
6FKT
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BU of 6fkt by Molmil
Crystal structure of a dye-decolorizing peroxidase R232A variant from Klebsiella pneumoniae (KpDyP)
Descriptor: Iron-dependent peroxidase, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pfanzagl, V, Hofbauer, S, Mlynek, G.
Deposit date:2018-01-24
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86002779 Å)
Cite:Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage.
J. Biol. Chem., 293, 2018
7Q4G
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BU of 7q4g by Molmil
Structure of coproheme decarboxylase from Corynebacterium dipththeriae Y135A mutant in complex with coproheme
Descriptor: 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Coproheme decarboxylase from Corynebacterium diphtheriae Y135A mutant in complex with coproheme, DI(HYDROXYETHYL)ETHER
Authors:Michlits, H, Valente, N, Mlynek, G, Hofbauer, S.
Deposit date:2021-10-30
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Initial Steps to Engineer Coproheme Decarboxylase to Obtain Stereospecific Monovinyl, Monopropionyl Deuterohemes.
Front Bioeng Biotechnol, 9, 2021
7Q4F
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BU of 7q4f by Molmil
Structure of coproheme decarboxylase from Corynebacterium dipththeriae W183Y mutant in complex with coproheme
Descriptor: 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Coproheme decarboxylase from Corynebacterium dipththeriae W183Y mutant in complex with coproheme, DI(HYDROXYETHYL)ETHER, ...
Authors:Michlits, H, Valente, N, Mlynek, G, Hofbauer, S.
Deposit date:2021-10-30
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Initial Steps to Engineer Coproheme Decarboxylase to Obtain Stereospecific Monovinyl, Monopropionyl Deuterohemes.
Front Bioeng Biotechnol, 9, 2021
8AW7
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BU of 8aw7 by Molmil
Structure of coproporphyrin III-LmCpfC R45L
Descriptor: Coproporphyrin III ferrochelatase, GLYCEROL, coproporphyrin III
Authors:Gabler, T, Hofbauer, S, Pfanzagl, V.
Deposit date:2022-08-29
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Active site architecture of coproporphyrin ferrochelatase with its physiological substrate coproporphyrin III: Propionate interactions and porphyrin core deformation.
Protein Sci., 32, 2023
8AT8
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BU of 8at8 by Molmil
Structure of coproporphyrin III-LmCpfC
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Gabler, T, Hofbauer, S.
Deposit date:2022-08-22
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Active site architecture of coproporphyrin ferrochelatase with its physiological substrate coproporphyrin III: Propionate interactions and porphyrin core deformation.
Protein Sci., 32, 2023
8BBV
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BU of 8bbv by Molmil
Coproporphyrin III - LmCpfC complex soaked 2min with Fe2+
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Coproporphyrin III ferrochelatase, ...
Authors:Gabler, T, Hofbauer, S.
Deposit date:2022-10-14
Release date:2023-01-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Iron insertion into coproporphyrin III-ferrochelatase complex: Evidence for an intermediate distorted catalytic species.
Protein Sci., 32, 2023
6RR1
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BU of 6rr1 by Molmil
Structure of 10% reduced KpDyP
Descriptor: GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ...
Authors:Pfanzagl, V, Beale, J, Hofbauer, S.
Deposit date:2019-05-16
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner.
J.Biol.Chem., 295, 2020
6RR4
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BU of 6rr4 by Molmil
Structure of 25% reduced KpDyP
Descriptor: GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ...
Authors:Pfanzagl, V, Beale, J, Hofbauer, S.
Deposit date:2019-05-17
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner.
J.Biol.Chem., 295, 2020
6RR8
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BU of 6rr8 by Molmil
Structure of 100% reduced KpDyP (final wedges)
Descriptor: GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ...
Authors:Pfanzagl, V, Beale, J, Hofbauer, S.
Deposit date:2019-05-17
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner.
J.Biol.Chem., 295, 2020
6RQY
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BU of 6rqy by Molmil
Structure of % reduced KpDyP
Descriptor: GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ...
Authors:Pfanzagl, V, Beale, J, Hofbauer, S.
Deposit date:2019-05-16
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner.
J.Biol.Chem., 295, 2020
6RR6
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BU of 6rr6 by Molmil
Structure of 100% reduced KpDyP
Descriptor: GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ...
Authors:Pfanzagl, V, Beale, J, Hofbauer, S.
Deposit date:2019-05-17
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner.
J.Biol.Chem., 295, 2020
6RPE
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BU of 6rpe by Molmil
Structure of 5% reduced KpDyP in complex with cyanide
Descriptor: CYANIDE ION, GLYCEROL, Iron-dependent peroxidase, ...
Authors:Pfanzagl, V, Beale, J, Hofbauer, S.
Deposit date:2019-05-14
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner.
J.Biol.Chem., 295, 2020
6RPD
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BU of 6rpd by Molmil
Structure of ferrous KpDyP in complex with cyanide
Descriptor: CYANIDE ION, GLYCEROL, Iron-dependent peroxidase, ...
Authors:Pfanzagl, V, Beale, J, Hofbauer, S.
Deposit date:2019-05-14
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner.
J.Biol.Chem., 295, 2020
6RR5
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BU of 6rr5 by Molmil
Structure of 50% reduced KpDyP
Descriptor: GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ...
Authors:Pfanzagl, V, Beale, J, Hofbauer, S.
Deposit date:2019-05-17
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner.
J.Biol.Chem., 295, 2020
4WWS
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BU of 4wws by Molmil
Structure of Chlorite dismutase-like Protein from Listeria monocytogenes
Descriptor: POTASSIUM ION, Putative heme-dependent peroxidase lmo2113
Authors:Hagmueller, A, Mlynek, G, Djinovic-Carugo, K.
Deposit date:2014-11-12
Release date:2015-02-04
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and heme-binding properties of HemQ (chlorite dismutase-like protein) from Listeria monocytogenes.
Arch.Biochem.Biophys., 574, 2015
5SQ0
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BU of 5sq0 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL300007260658 - (S,S) isomer
Descriptor: (2S,4S)-1-(6-fluoro-2-hydroxyquinoline-4-carbonyl)-4-methylazetidine-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SPZ
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BU of 5spz by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250001448407 - (S) isomer
Descriptor: (3S)-3-(fluoromethyl)-1-(6-oxo-1,6-dihydropyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SPX
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BU of 5spx by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250003958539
Descriptor: (5M)-5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dimethyl-1H-pyrazole-4-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SQ1
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BU of 5sq1 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC001601221314 - (S) isomer
Descriptor: 1-(2-aminopyrimidine-5-sulfonyl)-4,4-difluoro-L-proline, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SQ2
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BU of 5sq2 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2976440814 - (S) isomer
Descriptor: 7-fluoro-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-9H-pyrimido[4,5-b]indole, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023

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