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3ZOG
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BU of 3zog by Molmil
Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound 1-Cyclohex-2-enone
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, cyclohex-2-en-1-one
Authors:Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K.
Deposit date:2013-02-21
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Nat.Commun., 5, 2014
3ZOF
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BU of 3zof by Molmil
Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound benzene-1,4-diol
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVOREDOXIN, benzene-1,4-diol
Authors:Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K.
Deposit date:2013-02-21
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Nat.Commun., 5, 2014
3ZOH
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BU of 3zoh by Molmil
Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound 1-Cyclohex-2-enone
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVOREDOXIN, cyclohex-2-en-1-one
Authors:Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K.
Deposit date:2013-02-21
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Nat.Commun., 5, 2014
3ZOC
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BU of 3zoc by Molmil
Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound p-hydroxybenzaldehyde
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, P-HYDROXYBENZALDEHYDE
Authors:Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K.
Deposit date:2013-02-21
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Nat.Commun., 5, 2014
3ZOD
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BU of 3zod by Molmil
Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound benzene-1,4-diol
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, benzene-1,4-diol
Authors:Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K.
Deposit date:2013-02-21
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Nat.Commun., 5, 2014
3ZOE
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BU of 3zoe by Molmil
Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound p-hydroxybenzaldehyde
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVOREDOXIN, P-HYDROXYBENZALDEHYDE
Authors:Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K.
Deposit date:2013-02-21
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Nat.Commun., 5, 2014
4V15
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BU of 4v15 by Molmil
Crystal structure of D-threonine aldolase from Alcaligenes xylosoxidans
Descriptor: D-THREONINE ALDOLASE, MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Uhl, M.K, Oberdorfer, G, Steinkellner, G, Riegler, L, Schuermann, M, Gruber, K.
Deposit date:2014-09-24
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Crystal Structure of D-Threonine Aldolase from Alcaligenes Xylosoxidans Provides Insight Into a Metal Ion Assisted Plp-Dependent Mechanism.
Plos One, 10, 2015
4UU3
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BU of 4uu3 by Molmil
Ferulic acid decarboxylase from Enterobacter sp.
Descriptor: FERULIC ACID DECARBOXYLASE
Authors:Hromic, A, Pavkov-Keller, T, Steinkellner, G, Lyskowski, A, Wuensch, C, Gross, J, Fuchs, M, Fauland, K, Glueck, S.M, Faber, K, Gruber, K.
Deposit date:2014-07-24
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Regioselective Enzymatic Beta-Carboxylation of Para-Hydroxy-Styrene Derivatives Catalyzed by Phenolic Acid Decarboxylases.
Adv. Synth. Catal., 357, 2015
4UIR
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BU of 4uir by Molmil
Structure of oleate hydratase from Elizabethkingia meningoseptica
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, OLEATE HYDRATASE, ...
Authors:Pavkov-Keller, T, Hromic, A, Engleder, M, Emmerstorfer, A, Steinkellner, G, Schrempf, S, Wriessnegger, T, Leitner, E, Strohmeier, G.A, Kaluzna, I, Mink, D, Schuermann, M, Wallner, S, Macheroux, P, Pichler, H, Gruber, K.
Deposit date:2015-04-02
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-Based Mechanism of Oleate Hydratase from Elizabethkingia Meningoseptica.
Chembiochem, 16, 2015
4UU2
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BU of 4uu2 by Molmil
Ferulic acid decarboxylase from Enterobacter sp., single mutant
Descriptor: FERULIC ACID DECARBOXYLASE, GLYCINE, PHOSPHATE ION, ...
Authors:Hromic, A, Pavkov-Keller, T, Steinkellner, G, Lyskowski, A, Wuensch, C, Gross, J, Fuchs, M, Fauland, K, Glueck, S.M, Faber, K, Gruber, K.
Deposit date:2014-07-24
Release date:2015-06-10
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Regioselective Enzymatic Beta-Carboxylation of Para-Hydroxy-Styrene Derivatives Catalyzed by Phenolic Acid Decarboxylases.
Adv. Synth. Catal., 357, 2015
5EB4
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BU of 5eb4 by Molmil
The crystal structure of almond HNL, PaHNL5 V317A, expressed in Aspergillus niger
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Pavkov-Keller, T, Steinkellner, G, Gruber, K.
Deposit date:2015-10-17
Release date:2016-04-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of almond hydroxynitrile lyase isoenzyme 5 provide a rationale for the lack of oxidoreductase activity in flavin dependent HNLs.
J.Biotechnol., 235, 2016
5EB5
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BU of 5eb5 by Molmil
The crystal structure of almond HNL, PaHNL5 V317A, in complex with benzyl alcohol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Pavkov-Keller, T, Steinkellner, G, Gruber, K.
Deposit date:2015-10-17
Release date:2016-04-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of almond hydroxynitrile lyase isoenzyme 5 provide a rationale for the lack of oxidoreductase activity in flavin dependent HNLs.
J.Biotechnol., 235, 2016
4CE5
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BU of 4ce5 by Molmil
First crystal structure of an (R)-selective omega-transaminase from Aspergillus terreus
Descriptor: AT-OMEGATA, CALCIUM ION, CHLORIDE ION, ...
Authors:Lyskowski, A, Gruber, C, Steinkellner, G, Schurmann, M, Schwab, H, Gruber, K, Steiner, K.
Deposit date:2013-11-08
Release date:2014-02-12
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal Structure of an (R)-Selective Omega-Transaminase from Aspergillus Terreus
Plos One, 9, 2014
5AH1
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BU of 5ah1 by Molmil
Structure of EstA from Clostridium botulinum
Descriptor: POTASSIUM ION, TRIACYLGLYCEROL LIPASE, ZINC ION
Authors:Pairitsch, A, Lyskowski, A, Hromic, A, Steinkellner, G, Gruber, K, Perz, V, Baumschlager, A, Bleymaier, K, Zitzenbacher, S, Sinkel, C, Kueper, U, Ribitsch, D, Guebitz, G.M.
Deposit date:2015-02-04
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Hydrolysis of Synthetic Polyesters by Clostridium Botulinum Esterases.
Biotechnol.Bioeng., 113, 2016
5A2G
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BU of 5a2g by Molmil
An esterase from anaerobic Clostridium hathewayi can hydrolyze aliphatic aromatic polyesters
Descriptor: CARBOXYLIC ESTER HYDROLASE, PHOSPHATE ION
Authors:Hromic, A, Pavkov Keller, T, Steinkellner, G, Gruber, K, Perz, V, Baumschlager, A, Bleymaier, K, Zitzenbacher, S, Zankel, A, Mayrhofer, C, Sinkel, C, Kueper, U, Schlegel, K.A, Ribitsch, D, Guebitz, G.M.
Deposit date:2015-05-19
Release date:2016-02-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:An Esterase from Anaerobic Clostridium Hathewayi Can Hydrolyze Aliphatic-Aromatic Polyesters.
Environ.Sci.Tech., 50, 2016
2XAA
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BU of 2xaa by Molmil
Alcohol dehydrogenase ADH-'A' from Rhodococcus ruber DSM 44541 at pH 8.5 in complex with NAD and butane-1,4-diol
Descriptor: 1,4-BUTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SECONDARY ALCOHOL DEHYDROGENASE, ...
Authors:Kroutil, W, Gruber, K, Grogan, G.
Deposit date:2010-03-30
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights Into Substrate Specificity and Solvent Tolerance in Alcohol Dehydrogenase Adh-'A' from Rhodococcus Ruber Dsm 44541.
Chem.Commun.(Camb.), 46, 2010
3JV7
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BU of 3jv7 by Molmil
Structure of ADH-A from Rhodococcus ruber
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, ADH-A, ...
Authors:Karabec, M, Lyskowski, A, Gruber, K.
Deposit date:2009-09-16
Release date:2010-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into substrate specificity and solvent tolerance in alcohol dehydrogenase ADH-'A' from Rhodococcus ruber DSM 44541.
Chem.Commun.(Camb.), 2010
7A0Q
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BU of 7a0q by Molmil
Crystal structure of kievitone hydratase from Nectria haematococca (C2 SG)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CrtC domain-containing protein, IMIDAZOLE, ...
Authors:Pavkov-Keller, T, Gruber, K.
Deposit date:2020-08-10
Release date:2021-08-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural analysis and reaction mechanism of kievitone hydratase from Nectria haematococca
to be published
7A0T
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BU of 7a0t by Molmil
Crystal structure of kievitone hydratase from Nectria haematococca (P21 SG)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CrtC domain-containing protein, IMIDAZOLE, ...
Authors:Pavkov-Keller, T, Gruber, K.
Deposit date:2020-08-10
Release date:2021-08-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis and reaction mechanism of kievitone hydratase from Nectria haematococca
to be published
5LUI
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BU of 5lui by Molmil
Structure of cutinase 1 from Thermobifida cellulosilytica
Descriptor: CHLORIDE ION, Cutinase 1, DI(HYDROXYETHYL)ETHER, ...
Authors:Hromic, A, Lyskowski, A, Gruber, K.
Deposit date:2016-09-08
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica.
Biotechnol. Bioeng., 114, 2017
5LUK
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BU of 5luk by Molmil
Structure of a double variant of cutinase 2 from Thermobifida cellulosilytica
Descriptor: CHLORIDE ION, Cutinase 2, MAGNESIUM ION
Authors:Hromic, A, Lyskowski, A, Gruber, K.
Deposit date:2016-09-09
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica.
Biotechnol. Bioeng., 114, 2017
5LUL
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BU of 5lul by Molmil
Structure of a triple variant of cutinase 2 from Thermobifida cellulosilytica
Descriptor: CALCIUM ION, CHLORIDE ION, Cutinase 2
Authors:Hromic, A, Lyskowski, A, Gruber, K.
Deposit date:2016-09-09
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica.
Biotechnol. Bioeng., 114, 2017
5LUJ
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BU of 5luj by Molmil
Structure of cutinase 2 from Thermobifida cellulosilytica
Descriptor: CHLORIDE ION, Cutinase 2
Authors:Hromic, A, Lyskowski, A, Gruber, K.
Deposit date:2016-09-08
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica.
Biotechnol. Bioeng., 114, 2017
5O3N
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BU of 5o3n by Molmil
Crystal structure of E. cloacae 3,4-dihydroxybenzoic acid decarboxylase (AroY) reconstituted with prFMN
Descriptor: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-yl)-D-ribitol, 3,4-dihydroxybenzoate decarboxylase, GLYCEROL, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2017-05-24
Release date:2017-09-13
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Regioselective para-Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NY5
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BU of 5ny5 by Molmil
The apo structure of 3,4-dihydroxybenzoic acid decarboxylases from Enterobacter cloacae
Descriptor: 3,4-dihydroxybenzoate decarboxylase, GLYCEROL
Authors:Dordic, A, Gruber, K, Payer, S, Glueck, S, Pavkov-Keller, T, Marshall, S, Leys, D.
Deposit date:2017-05-11
Release date:2017-09-13
Last modified:2020-11-18
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Regioselective para-Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase.
Angew. Chem. Int. Ed. Engl., 56, 2017

 

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