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5WT5
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BU of 5wt5 by Molmil
L-homocysteine-bound NifS from Helicobacter pylori
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Cysteine desulfurase IscS, ISOPROPYL ALCOHOL
Authors:Fujishiro, T, Takahashi, Y.
Deposit date:2016-12-09
Release date:2017-12-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural snapshot of cysteine desulfurase NifS with L-cysteine in initiation of catalysis
to be published
5WT6
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BU of 5wt6 by Molmil
Cysteine persulfide intermediate of NifS from Helicobacter pylori
Descriptor: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID, CHLORIDE ION, Cysteine desulfurase IscS, ...
Authors:Fujishiro, T, Nakamura, R, Takahashi, Y.
Deposit date:2016-12-09
Release date:2017-12-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural snapshot of cysteine desulfurase NifS with L-cysteine in initiation of catalysis
To be published
5D5O
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BU of 5d5o by Molmil
HcgC from Methanocaldococcus jannaschii
Descriptor: SULFATE ION, Uncharacterized protein MJ0489
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-08-11
Release date:2016-07-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
5D4U
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BU of 5d4u by Molmil
SAM-bound HcgC from Methanocaldococcus jannaschii
Descriptor: S-ADENOSYLMETHIONINE, SULFATE ION, Uncharacterized protein MJ0489
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-08-09
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
5D4T
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BU of 5d4t by Molmil
SeMet-labelled HcgC from Methanocaldococcus jannaschii in space group P212121
Descriptor: Uncharacterized protein MJ0489
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-08-09
Release date:2016-07-20
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
5D4V
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BU of 5d4v by Molmil
HcgC with SAH and a guanylylpyridinol (GP) derivative
Descriptor: 5'-O-[(R)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-08-09
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
5D5T
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BU of 5d5t by Molmil
SeMet-labelled HcgC from Methanocaldococcus jannaschii in P1 space group
Descriptor: Uncharacterized protein MJ0489
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-08-11
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
3VM4
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BU of 3vm4 by Molmil
Cytochrome P450SP alpha (CYP152B1) in complex with (R)-ibuprophen
Descriptor: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, Fatty acid alpha-hydroxylase, ...
Authors:Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2011-12-08
Release date:2012-05-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Chiral-substrate-assisted stereoselective epoxidation catalyzed by H2O2-dependent cytochrome P450SP alpha
Chem Asian J, 7, 2012
4YT4
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BU of 4yt4 by Molmil
Iron guanylylpyridinol (FeGP) cofactor-reconstituted HmdII from Methanocaldococcus jannaschii
Descriptor: H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338, iron-guanylyl pyridinol cofactor
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-03-17
Release date:2015-07-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs.
Febs J., 282, 2015
4YT8
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BU of 4yt8 by Molmil
SeMet-labelled HmdII from Methanocaldococcus jannaschii
Descriptor: H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338, TRIETHYLENE GLYCOL
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-03-17
Release date:2015-07-01
Last modified:2015-09-09
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs.
Febs J., 282, 2015
4YT5
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BU of 4yt5 by Molmil
HmdII from Methanocaldococcus jannaschii with bound methylene-tetrahydromethanopterin
Descriptor: 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338, TRIETHYLENE GLYCOL
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-03-17
Release date:2015-07-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs.
Febs J., 282, 2015
4YTE
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BU of 4yte by Molmil
N-terminal domain of HmdIII from Methanocaldococcus jannaschii
Descriptor: H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ0715
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-03-17
Release date:2016-03-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:N-terminal domain of HmdIII from Methanocaldococcus jannaschii
to be published
4YT2
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BU of 4yt2 by Molmil
Hmd II from Methanocaldococcus jannaschii
Descriptor: DI(HYDROXYETHYL)ETHER, H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338, TRIETHYLENE GLYCOL
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-03-17
Release date:2015-07-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs.
Febs J., 282, 2015
3WSG
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BU of 3wsg by Molmil
Reduced HcgD from Methanocaldococcus jannaschii with citrate
Descriptor: CITRIC ACID, FE (II) ION, Putative GTP cyclohydrolase 1 type 2
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2014-03-13
Release date:2014-08-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:A possible iron delivery function of the dinuclear iron center of HcgD in [Fe]-hydrogenase cofactor biosynthesis
Febs Lett., 588, 2014
3WV7
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BU of 3wv7 by Molmil
HcgE from Methanothermobacter marburgensis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Hmd co-occurring protein HcgE
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2014-05-16
Release date:2015-04-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein-pyridinol thioester precursor for biosynthesis of the organometallic acyl-iron ligand in [Fe]-hydrogenase cofactor
Nat Commun, 6, 2015
7WSX
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BU of 7wsx by Molmil
Class III hybrid cluster protein (HCP) C67Y variant from Methanothermobacter marburgensis
Descriptor: FE-S-O HYBRID CLUSTER, Hydroxylamine reductase
Authors:Fujishiro, T.
Deposit date:2022-02-02
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Class III hybrid cluster protein homodimeric architecture shows evolutionary relationship with Ni, Fe-carbon monoxide dehydrogenases.
Nat Commun, 14, 2023
3AWM
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BU of 3awm by Molmil
Cytochrome P450SP alpha (CYP152B1) wild-type with palmitic acid
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Fatty acid alpha-hydroxylase, PALMITIC ACID, ...
Authors:Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2011-03-25
Release date:2011-06-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of H2O2-dependent cytochrome P450SPalpha with its bound fatty acid substrate: insight into the regioselective hydroxylation of fatty acids at the alpha position
J.Biol.Chem., 286, 2011
3AWP
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BU of 3awp by Molmil
Cytochrome P450SP alpha (CYP152B1) mutant F288G
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Fatty acid alpha-hydroxylase, PALMITIC ACID, ...
Authors:Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2011-03-25
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of H2O2-dependent cytochrome P450SPalpha with its bound fatty acid substrate: insight into the regioselective hydroxylation of fatty acids at the alpha position.
J.Biol.Chem., 286, 2011
3AWQ
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BU of 3awq by Molmil
Cytochrome P450SP alpha (CYP152B1) mutant L78F
Descriptor: Fatty acid alpha-hydroxylase, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fujishiro, T, Shoji, O, Nagano, S, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2011-03-25
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of H2O2-dependent cytochrome P450SPalpha with its bound fatty acid substrate: insight into the regioselective hydroxylation of fatty acids at the alpha position.
J.Biol.Chem., 286, 2011
5XT6
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BU of 5xt6 by Molmil
A sulfur-transferring catalytic intermediate of SufS-SufU complex from Bacillus subtilis
Descriptor: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID, Cysteine desulfurase SufS, ZINC ION, ...
Authors:Fujishiro, T, Kunichika, K, Takahashi, Y.
Deposit date:2017-06-17
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Zinc-Ligand Swapping Mediated Complex Formation and Sulfur Transfer between SufS and SufU for Iron-Sulfur Cluster Biogenesis in Bacillus subtilis
J. Am. Chem. Soc., 139, 2017
5XT5
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BU of 5xt5 by Molmil
SufS-SufU complex from Bacillus subtilis
Descriptor: Cysteine desulfurase SufS, PYRIDOXAL-5'-PHOSPHATE, ZINC ION, ...
Authors:Fujishiro, T, Takahashi, Y.
Deposit date:2017-06-17
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Zinc-Ligand Swapping Mediated Complex Formation and Sulfur Transfer between SufS and SufU for Iron-Sulfur Cluster Biogenesis in Bacillus subtilis
J. Am. Chem. Soc., 139, 2017
6JZW
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BU of 6jzw by Molmil
Crystal structure of SufU from Bacillus subtilis with Cys persulfurated
Descriptor: ZINC ION, Zinc-dependent sulfurtransferase SufU
Authors:Fujishiro, T, Takahashi, Y.
Deposit date:2019-05-04
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Zinc-persulfide complex for sulfur mobilization by SufU in SUF-like machinery for Fe-S cluster biosynthesis
to be published
6JZV
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BU of 6jzv by Molmil
Crystal structure of SufU from Bacillus subtilis
Descriptor: ZINC ION, Zinc-dependent sulfurtransferase SufU
Authors:Fujishiro, T, Takahashi, Y.
Deposit date:2019-05-04
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Zinc-persulfide complex for sulfur mobilization by SufU in SUF-like machinery for Fe-S cluster biosynthesis
to be published
5ZT8
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BU of 5zt8 by Molmil
SirB from Bacillus subtilis
Descriptor: Sirohydrochlorin ferrochelatase
Authors:Fujishiro, T.
Deposit date:2018-05-02
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of sirohydrochlorin ferrochelatase SirB: the last of the structures of the class II chelatase family.
Dalton Trans, 48, 2019
5ZTA
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BU of 5zta by Molmil
SirB from Bacillus subtilis with Fe3+
Descriptor: FE (III) ION, Sirohydrochlorin ferrochelatase
Authors:Fujishiro, T.
Deposit date:2018-05-02
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:A route for metal acquisition for chelatase reaction catalyzed by SirB from Bacillus subtilis
To be published

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PDB entries from 2024-09-18

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