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4QCJ
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BU of 4qcj by Molmil
Crystal Structure of OdhI from Corynebacterium glutamicum
Descriptor: Oxoglutarate dehydrogenase inhibitor
Authors:Labahn, J, Raasch, K, Eggeling, L, Bocola, M, Leitner, A, Bott, M.
Deposit date:2014-05-12
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interaction of 2-oxoglutarate dehydrogenase OdhA with its inhibitor OdhI in Corynebacterium glutamicum: Mutants and a model.
J.Biotechnol., 191, 2014
3OG3
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BU of 3og3 by Molmil
Crystal structure of an artificial thermostable (BA)8-barrel protein from identical half barrels
Descriptor: CHLORIDE ION, Imidazole glycerol phosphate synthase subunit hisF, SULFATE ION
Authors:Sperl, J.M, Bocola, M, List, F, Kellerer, B, Sterner, R.
Deposit date:2010-08-16
Release date:2011-08-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Design of an artificial thermostable (BA)8-barrel protein from identical half barrels
To be Published
5E78
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BU of 5e78 by Molmil
Crystal structure of P450 BM3 heme domain variant complexed with Co(III)Sep
Descriptor: 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane, Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, ...
Authors:Panneerselvm, S, Shehzad, A, Bocola, M, Mueller-Dieckmann, J, Schwaneberg, U.
Deposit date:2015-10-12
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic insights into a cobalt (III) sepulchrate based alternative cofactor system of P450 BM3 monooxygenase.
Biochim. Biophys. Acta, 1866, 2018
5E7Y
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BU of 5e7y by Molmil
Crystal structure of P450 BM3 heme domain M7 variant
Descriptor: Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Panneerselvm, S, Shehzad, A, Bocola, M, Mueller-Dieckmann, J, Schwaneberg, U.
Deposit date:2015-10-13
Release date:2017-01-25
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of P450 BM3 heme domain M7 variant
To Be Published
4HGH
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BU of 4hgh by Molmil
Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset I)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, DI(HYDROXYETHYL)ETHER, ...
Authors:Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
Deposit date:2012-10-08
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
4HGF
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BU of 4hgf by Molmil
Crystal structure of P450 BM3 5F5K heme domain variant complexed with styrene
Descriptor: Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
Deposit date:2012-10-08
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
4HGG
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BU of 4hgg by Molmil
Crystal structure of P450 BM3 5F5R heme domain variant complexed with styrene
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, ...
Authors:Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
Deposit date:2012-10-08
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
4HGJ
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BU of 4hgj by Molmil
Crystal structure of P450 BM3 5F5 heme domain variant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, ...
Authors:Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
Deposit date:2012-10-08
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
4HGI
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BU of 4hgi by Molmil
Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset II)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, DI(HYDROXYETHYL)ETHER, ...
Authors:Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U.
Deposit date:2012-10-08
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
3WJC
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BU of 3wjc by Molmil
Crystal structure of mutant nitrobindin M75L/H76L/Q96C/M148L/H158L covalently linked with [Rh(Cp-Mal)(COD)] (NB4-Rh) from Arabidopsis thaliana
Descriptor: BARIUM ION, UPF0678 fatty acid-binding protein-like protein At1g79260, [(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium
Authors:Mizohata, E, Fukumoto, K, Onoda, A, Bocola, M, Arlt, M, Inoue, T, Schwaneberg, U, Hayashi, T.
Deposit date:2013-10-08
Release date:2014-04-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Rhodium Complex-linked Hybrid Biocatalyst: Stereo-controlled Phenylacetylene Polymerization within an Engineered Protein Cavity
CHEMCATCHEM, 2014
3WJD
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BU of 3wjd by Molmil
Crystal structure of mutant nitrobindin F44W/M75L/H76L/Q96C/M148L/H158L (NB5) from Arabidopsis thaliana
Descriptor: GLYCEROL, UPF0678 fatty acid-binding protein-like protein At1g79260
Authors:Mizohata, E, Fukumoto, K, Onoda, A, Bocola, M, Arlt, M, Inoue, T, Schwaneberg, U, Hayashi, T.
Deposit date:2013-10-08
Release date:2014-04-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:A Rhodium Complex-linked Hybrid Biocatalyst: Stereo-controlled Phenylacetylene Polymerization within an Engineered Protein Cavity
CHEMCATCHEM, 2014
3WJB
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BU of 3wjb by Molmil
Crystal structure of mutant nitrobindin M75L/H76L/Q96C/M148L/H158L (NB4) from Arabidopsis thaliana
Descriptor: BARIUM ION, HEXAETHYLENE GLYCOL, UPF0678 fatty acid-binding protein-like protein At1g79260
Authors:Mizohata, E, Fukumoto, K, Onoda, A, Bocola, M, Arlt, M, Inoue, T, Schwaneberg, U, Hayashi, T.
Deposit date:2013-10-08
Release date:2014-04-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Rhodium Complex-linked Hybrid Biocatalyst: Stereo-controlled Phenylacetylene Polymerization within an Engineered Protein Cavity
CHEMCATCHEM, 2014
3WJE
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BU of 3wje by Molmil
Crystal structure of mutant nitrobindin M75W/H76L/Q96C/M148L/H158L (NB6) from Arabidopsis thaliana
Descriptor: UPF0678 fatty acid-binding protein-like protein At1g79260
Authors:Mizohata, E, Fukumoto, K, Onoda, A, Bocola, M, Arlt, M, Inoue, T, Schwaneberg, U, Hayashi, T.
Deposit date:2013-10-08
Release date:2014-04-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Rhodium Complex-linked Hybrid Biocatalyst: Stereo-controlled Phenylacetylene Polymerization within an Engineered Protein Cavity
CHEMCATCHEM, 2014
3WJF
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BU of 3wjf by Molmil
Crystal structure of mutant nitrobindin M75L/H76L/Q96C/V128W/M148L/H158L (NB9) from Arabidopsis thaliana
Descriptor: UPF0678 fatty acid-binding protein-like protein At1g79260
Authors:Mizohata, E, Fukumoto, K, Onoda, A, Bocola, M, Arlt, M, Inoue, T, Schwaneberg, U, Hayashi, T.
Deposit date:2013-10-08
Release date:2014-04-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Rhodium Complex-linked Hybrid Biocatalyst: Stereo-controlled Phenylacetylene Polymerization within an Engineered Protein Cavity
CHEMCATCHEM, 2014
3WJG
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BU of 3wjg by Molmil
Crystal structure of mutant nitrobindin M75L/H76L/Q96C/M148W/H158L (NB10) from Arabidopsis thaliana
Descriptor: GLYCEROL, UPF0678 fatty acid-binding protein-like protein At1g79260
Authors:Mizohata, E, Fukumoto, K, Onoda, A, Bocola, M, Arlt, M, Inoue, T, Schwaneberg, U, Hayashi, T.
Deposit date:2013-10-08
Release date:2014-04-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:A Rhodium Complex-linked Hybrid Biocatalyst: Stereo-controlled Phenylacetylene Polymerization within an Engineered Protein Cavity
CHEMCATCHEM, 2014
4EWN
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BU of 4ewn by Molmil
Structure of HisF-D130V+D176V with bound rCdRP
Descriptor: 1-(O-carboxy-phenylamino)-1-deoxy-D-ribulose-5-phosphate, Imidazole glycerol phosphate synthase subunit HisF
Authors:Reisinger, B, Bocola, M, Rajendran, C, List, F, Sterner, R.
Deposit date:2012-04-27
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:A sugar isomerization reaction established on various (beta-alpha)8-barrel scaffolds is based on substrate-assisted catalysis
Protein Eng.Des.Sel., 25, 2012
3G02
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BU of 3g02 by Molmil
Structure of enantioselective mutant of epoxide hydrolase from Aspergillus niger generated by directed evolution
Descriptor: Epoxide hydrolase, FORMIC ACID
Authors:Naworyta, A, Mowbray, S.L.
Deposit date:2009-01-27
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Directed evolution of an enantioselective epoxide hydrolase: uncovering the source of enantioselectivity at each evolutionary stage
J.Am.Chem.Soc., 131, 2009
3G0I
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BU of 3g0i by Molmil
Complex of Aspergillus niger epoxide hydrolase with valpromide (2-propylpentanamide)
Descriptor: 2-PROPYLPENTANAMIDE, Epoxide hydrolase
Authors:Zou, J, Mowbray, S.L.
Deposit date:2009-01-28
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Directed evolution of an enantioselective epoxide hydrolase: uncovering the source of enantioselectivity at each evolutionary stage
J.Am.Chem.Soc., 131, 2009
4YMY
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BU of 4ymy by Molmil
Crystal structure of mutant nitrobindin M75A/H76L/Q96C/M148L/H158A (NB11) from Arabidopsis thaliana
Descriptor: GLYCEROL, UPF0678 fatty acid-binding protein-like protein At1g79260
Authors:Mizohata, E, Himiyama, T, Tachikawa, K, Oohora, K, Onoda, A, Hayashi, T.
Deposit date:2015-03-08
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1 Å)
Cite:A Highly Active Biohybrid Catalyst for Olefin Metathesis in Water: Impact of a Hydrophobic Cavity in a beta-Barrel Protein
Acs Catalysis, 5, 2015
5YAO
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BU of 5yao by Molmil
The complex structure of SZ529 and expoxid
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, SODIUM ION
Authors:Lian, W, Sun, Z.T, Zhou, J.H, Reetz, M.T.
Deposit date:2017-09-01
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.611 Å)
Cite:Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations
J. Am. Chem. Soc., 140, 2018
5YNG
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BU of 5yng by Molmil
Crystal structure of SZ348 in complex with cyclopentene oxide
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, NICKEL (II) ION, ...
Authors:Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
Deposit date:2017-10-24
Release date:2018-06-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
5YQT
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BU of 5yqt by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D, Sun, Z.T, Wu, L, Reetz, M.T, Zhou, J.H, Xu, J.H.
Deposit date:2017-11-07
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
1JAZ
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BU of 1jaz by Molmil
Crystal Structure of Monoclinic Form of D90E Mutant of Escherichia coli Asparaginase II
Descriptor: L-ASPARAGINASE II, ZINC ION
Authors:Borek, D, Kozak, M, Jaskolski, M.
Deposit date:2001-06-01
Release date:2003-09-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of active site mutant of antileukemic L-asparaginase reveals conserved zinc-binding site.
Febs J., 281, 2014
1JJA
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BU of 1jja by Molmil
CRYSTAL STRUCTURE OF ORTHORHOMBIC FORM OF D90E MUTANT OF ESCHERICHIA COLI L-ASPARAGINASE II
Descriptor: L-ASPARAGINASE II
Authors:Borek, D, Kozak, M, Jaskolski, M.
Deposit date:2001-07-04
Release date:2003-09-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of active site mutant of antileukemic L-asparaginase reveals conserved zinc-binding site.
Febs J., 281, 2014
1IHD
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BU of 1ihd by Molmil
Crystal Structure of Trigonal Form of D90E Mutant of Escherichia coli Asparaginase II
Descriptor: L-asparaginase II
Authors:Borek, D, Jaskolski, M.
Deposit date:2001-04-19
Release date:2003-09-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of active site mutant of antileukemic L-asparaginase reveals conserved zinc-binding site.
Febs J., 281, 2014

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