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PDB: 162 results

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
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
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
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
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
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
8PUN
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BU of 8pun by Molmil
Old Yellow Enzyme from the thermophilic Ferrovum sp. JA12
Descriptor: 1,2-ETHANEDIOL, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, CHLORIDE ION, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2023-07-17
Release date:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Old Yellow Enzyme from the thermophilic Ferrovum sp. JA12
To Be Published
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
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal Structure of an (R)-Selective Omega-Transaminase from Aspergillus Terreus
Plos One, 9, 2014
3T6B
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BU of 3t6b by Molmil
Structure of human DPPIII in complex with the opioid peptide Tynorphin, at 2.4 Angstroms
Descriptor: Dipeptidyl peptidase 3, Tynorphin
Authors:Bezerra, G.A, Gruber, K.
Deposit date:2011-07-28
Release date:2012-04-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Entropy-driven binding of opioid peptides induces a large domain motion in human dipeptidyl peptidase III
Proc.Natl.Acad.Sci.USA, 109, 2012
8C66
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BU of 8c66 by Molmil
Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD55
Descriptor: Phenolic acid decarboxylase N55, SULFATE ION
Authors:Schruefer, A, Mokos, D, Gruber, K, Daniel, B.
Deposit date:2023-01-11
Release date:2023-07-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Reconstructed ancestral sequence of bacterial phenolic acid decarboxylase show increased thermostability
To Be Published
8AUG
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BU of 8aug by Molmil
XenA Y183F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase, ethyl (2Z)-2-hydroxyimino-3-oxidanylidene-butanoate
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AU9
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BU of 8au9 by Molmil
Xenobiotic reductase A from Pseudomonas putida in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate, DI(HYDROXYETHYL)ETHER, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUB
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BU of 8aub by Molmil
12-oxophytodienoate reductase 3 (OPR3) from Solanum lycopersicum in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
Descriptor: 12-oxophytodienoate reductase 3, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUN
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BU of 8aun by Molmil
OPR3 Y370F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: 1,2-ETHANEDIOL, 12-oxophytodienoate reductase 3, DI(HYDROXYETHYL)ETHER, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AU8
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BU of 8au8 by Molmil
Xenobiotic reductase A from P. putida in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUH
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BU of 8auh by Molmil
Xenobiotic reductase A Y27F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUI
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BU of 8aui by Molmil
Xenobiotic reductase A Y27F variant in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUM
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BU of 8aum by Molmil
OPR3 Y190F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
Descriptor: 12-oxophytodienoate reductase 3, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUE
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BU of 8aue by Molmil
12-oxophytodienoate reductase 3 (OPR3) from Solanum lycopersicum in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: 1,2-ETHANEDIOL, 12-oxophytodienoate reductase 3, 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8B30
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BU of 8b30 by Molmil
Structure of the Reconstructed Ancestor of Phenolic Acid Decarboxylase AncPAD31
Descriptor: Phenolic acid decarboxylase N31
Authors:Mokos, D, Schruefer, A, Gruber, K, Daniel, B.
Deposit date:2022-09-15
Release date:2023-09-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Stability Increase of Phenolic Acid Decarboxylase by a Combination of Protein and Solvent Engineering Unlocks Applications at Elevated Temperatures.
Acs Sustain Chem Eng, 12, 2024
2AN7
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BU of 2an7 by Molmil
Solution structure of the bacterial antidote ParD
Descriptor: Protein parD
Authors:Oberer, M, Zangger, K, Gruber, K, Keller, W.
Deposit date:2005-08-11
Release date:2006-09-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The solution structure of ParD, the antidote of the ParDE toxin antitoxin module, provides the structural basis for DNA and toxin binding.
Protein Sci., 16, 2007
8OIM
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BU of 8oim by Molmil
Crystal structure of the lipase SpL from Sphingomonas sp. HXN-200
Descriptor: Lipase
Authors:Mokos, D, Gruber, K, Daniel, B.
Deposit date:2023-03-23
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Amide formation of (hetero)aromatic esters and primary amines in buffer catalyzed by serine hydrolases: An Asp next to Ser of the catalytic triad of serine hydrolases is crucial for activity
To Be Published
6EZD
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BU of 6ezd by Molmil
Pyrrolysyl-tRNA synthetase from Canditatus Methanomethylophilus alvus (MmaPylRS)
Descriptor: Pyrrolysyl-tRNA synthetase
Authors:Pavkov-Keller, T, Schweiger, K, Gruber, K.
Deposit date:2017-11-15
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A new archaeal pyrrolysyl-tRNA synthetase/amber suppressor tRNA pair for orthogonal protein translation
to be published
8AWN
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BU of 8awn by Molmil
Crystal structure of a manganese-containing cupin (tm1459) from Thermotoga maritima, variant C106Q
Descriptor: CHLORIDE ION, Cupin_2 domain-containing protein
Authors:Grininger, C, Steiner, K, Gruber, K, Pavkov-Keller, T.
Deposit date:2022-08-30
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Engineering TM1459 for Stabilisation against Inactivation by Amino Acid Oxidation
Chem Ing Tech, 2023
8AWP
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BU of 8awp by Molmil
Crystal structure of a manganese-containing cupin (tm1459) from Thermotoga maritima, variant 208 (V19I/R23H/M38I/I60F/C106Q)
Descriptor: Cupin_2 domain-containing protein
Authors:Grininger, C, Steiner, K, Gruber, K, Pavkov-Keller, T.
Deposit date:2022-08-30
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.595 Å)
Cite:Engineering TM1459 for Stabilisation against Inactivation by Amino Acid Oxidation
Chem Ing Tech, 2023

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PDB entries from 2024-05-08

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