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PDB: 164 results

7LQU
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BU of 7lqu by Molmil
Crystal Structure of HIV-1 RT in Complex with NBD-14075
Descriptor: Reverse transcriptase p51, Reverse transcriptase p66, SULFATE ION, ...
Authors:Losada, N, Ruiz, F.X, Gruber, K, Das, K, Arnold, E.
Deposit date:2021-02-15
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.
J.Med.Chem., 64, 2021
5E4M
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BU of 5e4m by Molmil
Hydroxynitrile lyase from the fern Davallia tyermanii in complex with p-hydroxybenzaldehyde
Descriptor: Hydroxynitrile lyase, P-HYDROXYBENZALDEHYDE
Authors:Pavkov-Keller, T, Diepold, M, Gruber, K.
Deposit date:2015-10-06
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily.
Sci Rep, 7, 2017
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
1JU2
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BU of 1ju2 by Molmil
Crystal structure of the hydroxynitrile lyase from almond
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dreveny, I, Gruber, K, Glieder, A, Thompson, A, Kratky, C.
Deposit date:2001-08-23
Release date:2002-09-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The hydroxynitrile lyase from almond: a lyase that looks like an oxidoreductase.
Structure, 9, 2001
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
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Old Yellow Enzyme from the thermophilic Ferrovum sp. JA12
To Be Published
4U2A
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BU of 4u2a by Molmil
Structure of a lectin from the seeds of Vatairea macrocarpa complexed with GalNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, CITRIC ACID, ...
Authors:Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Nagano, C.S, Gruber, K, Cavada, B.S.
Deposit date:2014-07-16
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:High-resolution structure of a new Tn antigen-binding lectin from Vatairea macrocarpa and a comparative analysis of Tn-binding legume lectins.
Int.J.Biochem.Cell Biol., 59C, 2014
4UD8
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BU of 4ud8 by Molmil
AtBBE15
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
Authors:Daniel, B, Steiner, B, Pavkov-Keller, T, Dordic, A, Gutmann, A, Sensen, C.W, Nidetzky, B, van der Graaff, E, Wallner, S, Gruber, K, Macheroux, P.
Deposit date:2014-12-09
Release date:2015-06-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.088 Å)
Cite:Oxidation of Monolignols by Members of the Berberine Bridge Enzyme Family Suggests a Role in Cell Wall Metabolism.
J.Biol.Chem., 290, 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
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
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
4ZXF
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BU of 4zxf by Molmil
Crystal Structure of a Soluble Variant of Monoglyceride Lipase from Saccharomyces Cerevisiae in Complex with a Substrate Analog
Descriptor: 1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium, Monoglyceride lipase, NITRATE ION, ...
Authors:Aschauer, P, Lichtenegger, J, Rengachari, S, Gruber, K, Oberer, M.
Deposit date:2015-05-20
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Biochim.Biophys.Acta, 1861, 2016
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
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
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis and reaction mechanism of kievitone hydratase from Nectria haematococca
to be published
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
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
8P7E
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BU of 8p7e by Molmil
Crystal structure of the lipase SpL from Sphingomonas sp. HXN-200 in complex with benzylamine
Descriptor: BENZYLAMINE, Lipase
Authors:Mokos, D, Gruber, K, Daniel, B.
Deposit date:2023-05-30
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.5 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
8P8F
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BU of 8p8f by Molmil
Crystal structure of the lipase SpL from Sphingomonas sp. HXN-200 in complex with N-benzyl-picolinamide
Descriptor: Lipase, ~{N}-(phenylmethyl)pyridine-2-carboxamide
Authors:Mokos, D, Gruber, K, Daniel, B.
Deposit date:2023-06-01
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.8 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
5K3W
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BU of 5k3w by Molmil
Structural characterisation of fold IV-transaminase, CpuTA1, from Curtobacterium pusillum
Descriptor: 3-AMINOBENZOIC ACID, CpuTA1, PYRIDOXAL-5'-PHOSPHATE
Authors:Pavkov-Keller, T, Diepold, M, Steiner, K, Gruber, K.
Deposit date:2016-05-20
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Discovery and structural characterisation of new fold type IV-transaminases exemplify the diversity of this enzyme fold.
Sci Rep, 6, 2016
3RLI
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BU of 3rli by Molmil
Crystal structure of monoacylglycerol lipase from Bacillus sp. H257 in complex with PMSF
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Thermostable monoacylglycerol lipase, phenylmethanesulfonic acid
Authors:Rengachari, S, Bezerra, G.A, Gruber, K, Oberer, M.
Deposit date:2011-04-19
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:The structure of monoacylglycerol lipase from Bacillus sp. H257 reveals unexpected conservation of the cap architecture between bacterial and human enzymes.
Biochim.Biophys.Acta, 1821, 2012
3RM3
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BU of 3rm3 by Molmil
Crystal structure of monoacylglycerol lipase from Bacillus sp. H257
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Thermostable monoacylglycerol lipase
Authors:Rengachari, S, Bezerra, G.A, Gruber, K, Oberer, M.
Deposit date:2011-04-20
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The structure of monoacylglycerol lipase from Bacillus sp. H257 reveals unexpected conservation of the cap architecture between bacterial and human enzymes.
Biochim.Biophys.Acta, 1821, 2012
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
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:2024-05-15
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
4ZWN
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BU of 4zwn by Molmil
Crystal Structure of a Soluble Variant of the Monoglyceride Lipase from Saccharomyces Cerevisiae
Descriptor: Monoglyceride lipase, NITRATE ION, SODIUM ION, ...
Authors:Aschauer, P, Rengachari, S, Gruber, K, Oberer, M.
Deposit date:2015-05-19
Release date:2016-04-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Biochim.Biophys.Acta, 1861, 2016
6FRI
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BU of 6fri by Molmil
Structure of LuxB from Photobacterium leiognathi
Descriptor: ACETATE ION, Alkanal monooxygenase beta chain
Authors:Uhl, M, Gruber, K.
Deposit date:2018-02-15
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Structure of LuxB from Photobacterium leiognathi
to be published

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