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5E4B
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BU of 5e4b by Molmil
Hydroxynitrile lyase from the fern Davallia tyermanii in complex with (R)-mandelonitrile / benzaldehyde
Descriptor: (2R)-hydroxy(phenyl)ethanenitrile, Hydroxynitrile lyase, benzaldehyde
Authors:Pavkov-Keller, T, Diepold, M, Gruber, K.
Deposit date:2015-10-05
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily.
Sci Rep, 7, 2017
5E46
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BU of 5e46 by Molmil
Hydroxynitrile lyase from the fern Davallia tyermanii
Descriptor: Hydroxynitrile lyase
Authors:Pavkov-Keller, T, Diepold, M, Gruber, K.
Deposit date:2015-10-05
Release date:2016-10-05
Last modified:2020-12-23
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily.
Sci Rep, 7, 2017
5E4D
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BU of 5e4d by Molmil
Hydroxynitrile lyase from the fern Davallia tyermanii in complex with benzoic acid
Descriptor: BENZOIC ACID, Hydroxynitrile lyase
Authors:Pavkov-Keller, T, Diepold, M, Gruber, K.
Deposit date:2015-10-05
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily.
Sci Rep, 7, 2017
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
6GG2
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BU of 6gg2 by Molmil
The structure of FsqB from Aspergillus fumigatus, a flavoenzyme of the amine oxidase family
Descriptor: Amino acid oxidase fmpA, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Pavkov-Keller, T, Lahham, M, Macheroux, P, Gruber, K.
Deposit date:2018-05-02
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Oxidative cyclization ofN-methyl-dopa by a fungal flavoenzyme of the amine oxidase family.
J. Biol. Chem., 293, 2018
6GHW
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BU of 6ghw by Molmil
Substituting the prolines of 4-oxalocrotonate tautomerase with non-canonical analogue (2S)-3,4-dehydroproline
Descriptor: 2-hydroxymuconate tautomerase, CALCIUM ION
Authors:Pavkov-Keller, T, Lukesch, M.S, Wiltschi, B, Gruber, K.
Deposit date:2018-05-09
Release date:2019-03-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substituting the catalytic proline of 4-oxalocrotonate tautomerase with non-canonical analogues reveals a finely tuned catalytic system.
Sci Rep, 9, 2019
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
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
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
8BVK
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BU of 8bvk by Molmil
The crystal structure of O-glycoside cleaving beta-eliminase from A. tumefaciens AtOGE
Descriptor: MANGANESE (II) ION, Xylose isomerase
Authors:Kuhlmann, K, Bitter, J, Pfeiffer, M, Nidetzky, B, Pavkov-Keller, T.
Deposit date:2022-12-04
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enzymatic beta-elimination in natural product O- and C-glycoside deglycosylation.
Nat Commun, 14, 2023
8CBA
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BU of 8cba by Molmil
Crystal structure of N-terminal domain of TraF, protein of a type IV secretion system from E.faecalis (pIP501)
Descriptor: Conjugal transfer protein traF
Authors:Berger, T.M.I, Stallinger, A, Pavkov-Keller, T, Keller, W.
Deposit date:2023-01-25
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of N-terminal domain of TraF, protein of a type IV secretion system from E.faecalis (pIP501)
to be published
4EC6
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BU of 4ec6 by Molmil
Ntf2-like, potential transfer protein TraM from Gram-positive conjugative plasmid pIP501
Descriptor: Putative uncharacterized protein
Authors:Goessweiner-Mohr, N, Grumet, L, Pavkov-Keller, T, Wang, M, Keller, W.
Deposit date:2012-03-26
Release date:2012-12-05
Last modified:2013-02-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The 2.5 A Structure of the Enterococcus Conjugation Protein TraM resembles VirB8 Type IV Secretion Proteins.
J.Biol.Chem., 288, 2013
8CMK
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BU of 8cmk by Molmil
Transportin-3 TNPO3 in complex with RSY region of CIRBP
Descriptor: 2-(1H-INDOL-3-YL)ETHANAMINE, Cold-inducible RNA-binding protein, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhou, Q, Sagmeister, T, Pavkov-Keller, T, Madl, T.
Deposit date:2023-02-20
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.945 Å)
Cite:Tyrosine mediated nuclear import of CIRBP reveals a flexible NLS recognition by TNPO3
To Be Published
8Q1O
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BU of 8q1o by Molmil
S-layer protein SlpA from Lactobacillus amylovorus, domain I (aa 32-209), important for Self-assembly
Descriptor: PHOSPHATE ION, S-layer
Authors:Sagmeister, T, Grininger, C, Eder, M, Pavkov-Keller, T.
Deposit date:2023-08-01
Release date:2023-09-06
Method:X-RAY DIFFRACTION (3.401 Å)
Cite:Surface Layer Proteins of Lactobacilli
To Be Published
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
8ALO
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BU of 8alo by Molmil
Heterodimer formation of sensory domains of Vibrio cholerae regulators ToxR and ToxS
Descriptor: Cholera toxin transcriptional activator, Transmembrane regulatory protein ToxS
Authors:Gubensaek, N, Sagmeister, T, Pavkov-Keller, T, Zangger, K, Buhlheller, C, Wagner, G.E.
Deposit date:2022-08-01
Release date:2023-09-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Vibrio cholerae's ToxRS bile sensing system.
Elife, 12, 2023
7OZM
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BU of 7ozm by Molmil
Crystal Structure of mtbMGL K74A (Closed Cap Conformation)
Descriptor: ISOPROPYL ALCOHOL, Monoacylglycerol lipase
Authors:Grininger, C, Aschauer, P, Pavkov-Keller, T, Oberer, M.
Deposit date:2021-06-28
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Changes in the Cap of Rv0183/mtbMGL Modulate the Shape of the Binding Pocket.
Biomolecules, 11, 2021
7P0Y
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BU of 7p0y by Molmil
Crystal Structure of mtbMGL K74A (Substrate Analog Complex)
Descriptor: 1-[butyl(fluoranyl)phosphoryl]oxyhexadecane, Monoacylglycerol lipase
Authors:Grininger, C, Aschauer, P, Pavkov-Keller, T, Oberer, M.
Deposit date:2021-06-30
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Changes in the Cap of Rv0183/mtbMGL Modulate the Shape of the Binding Pocket.
Biomolecules, 11, 2021
8AMC
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BU of 8amc by Molmil
Crystal Structure of cat allergen Fel d 4
Descriptor: Allergen Fel d 4, SULFATE ION
Authors:Schooltink, L, Sagmeister, T, Gottstein, N, Pavkov-Keller, T, Keller, W.
Deposit date:2022-08-03
Release date:2023-08-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal Structure of cat allergen Fel d 4
To Be Published
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:2024-05-01
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
8ALU
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BU of 8alu by Molmil
Crystal structure of the teichoic acid binding domain of SlpA, S-layer protein from Lactobacillus acidophilus (aa. 314-444)
Descriptor: PHOSPHATE ION, S-layer protein
Authors:Eder, M, Dordic, A, Sagmeister, T, Vejzovic, D, Pavkov-Keller, T.
Deposit date:2022-08-01
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The binding of the lactobacilli S-layer protein to the bacterial cell through interaction with teichoic acids
To Be Published

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PDB entries from 2024-06-12

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