6HRG
 
 | | Structure of Igni18, a novel metallo hydrolase from the hyperthermophilic archaeon Ignicoccus hospitalis KIN4/I | | Descriptor: | PHOSPHATE ION, POTASSIUM ION, UPF0173 metal-dependent hydrolase Igni_1254, ... | | Authors: | Smits, S.H, Streit, W.R, Jaeger, K.E, Hoeppner, A. | | Deposit date: | 2018-09-26 | | Release date: | 2019-10-09 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | A promiscuous ancestral enzyme ́s structure unveils protein variable regions of the highly diverse metallo-beta-lactamase family.
Commun Biol, 4, 2021
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3C7A
 | | A structural basis for substrate and stereo selectivity in octopine dehydrogenase (ODH-NADH) | | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Octopine dehydrogenase | | Authors: | Smits, S.H.J, Mueller, A, Schmitt, L, Grieshaber, M.K. | | Deposit date: | 2008-02-07 | | Release date: | 2008-07-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A structural basis for substrate selectivity and stereoselectivity in octopine dehydrogenase from Pecten maximus.
J.Mol.Biol., 381, 2008
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3C7D
 | | A structural basis for substrate and stereo selectivity in octopine dehydrogenase (ODH-NADH-Pyruvate) | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Octopine dehydrogenase, PYRUVIC ACID | | Authors: | Smits, S.H.J, Mueller, A, Schmitt, L, Grieshaber, M.K. | | Deposit date: | 2008-02-07 | | Release date: | 2008-07-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A structural basis for substrate selectivity and stereoselectivity in octopine dehydrogenase from Pecten maximus.
J.Mol.Biol., 381, 2008
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3C7C
 | | A structural basis for substrate and stereo selectivity in octopine dehydrogenase (ODH-NADH-L-Arginine) | | Descriptor: | ARGININE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Octopine dehydrogenase | | Authors: | Smits, S.H.J, Mueller, A, Schmitt, L, Grieshaber, M.K. | | Deposit date: | 2008-02-07 | | Release date: | 2008-07-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A structural basis for substrate selectivity and stereoselectivity in octopine dehydrogenase from Pecten maximus.
J.Mol.Biol., 381, 2008
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3CHG
 | | The compatible solute-binding protein OpuAC from Bacillus subtilis in complex with DMSA | | Descriptor: | (dimethyl-lambda~4~-sulfanyl)acetic acid, Glycine betaine-binding protein | | Authors: | Smits, S.H.J, Hoing, M, Lecher, J, Jebbar, M, Schmitt, L, Bremer, E. | | Deposit date: | 2008-03-09 | | Release date: | 2008-08-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Compatible-Solute-Binding Protein OpuAC from Bacillus subtilis: Ligand Binding, Site-Directed Mutagenesis, and Crystallographic Studies
J.Bacteriol., 190, 2008
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3IQD
 | | Structure of Octopine-dehydrogenase in complex with NADH and Agmatine | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, AGMATINE, Octopine dehydrogenase | | Authors: | Smits, S.H.J, Meyer, T, Mueller, A, Willbold, D, Grieshaber, M.K, Schmitt, L. | | Deposit date: | 2009-08-20 | | Release date: | 2010-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Insights into the mechanism of ligand binding to octopine dehydrogenase from Pecten maximus by NMR and crystallography
Plos One, 5, 2010
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6RA3
 | | Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqDC in complex with its product | | Descriptor: | 2-(octanoylamino)benzoic acid, Putative dioxygenase (1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase) | | Authors: | Wullich, S, Kobus, S, Smits, S.H, Fetzner, S. | | Deposit date: | 2019-04-05 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqdC, a mycobacterial dioxygenase of the alpha / beta-hydrolase fold family.
J.Struct.Biol., 207, 2019
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6RA2
 | | Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqDC | | Descriptor: | Putative dioxygenase (1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase) | | Authors: | Wullich, S, Kobus, S, Smits, S.H, Fetzner, S. | | Deposit date: | 2019-04-05 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqdC, a mycobacterial dioxygenase of the alpha / beta-hydrolase fold family.
J.Struct.Biol., 207, 2019
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6RB3
 | | Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqdC variant in complex with its substrate | | Descriptor: | 2-heptylquinoline-3,4-diol, Putative dioxygenase (1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase) | | Authors: | Wullich, S, Kobus, S, Smits, S.H, Fetzner, S. | | Deposit date: | 2019-04-09 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqdC, a mycobacterial dioxygenase of the alpha / beta-hydrolase fold family.
J.Struct.Biol., 207, 2019
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8BYK
 | | The structure of MadC from Clostridium maddingley reveals new insights into class I lanthipeptide cyclases | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Knospe, C.V, Kamel, M, Spitz, O, Hoeppner, A, Galle, S, Reiners, J, Kedrov, A, Smits, S.H, Schmitt, L. | | Deposit date: | 2022-12-13 | | Release date: | 2023-02-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structure of MadC from Clostridium maddingley reveals new insights into class I lanthipeptide cyclases.
Front Microbiol, 13, 2022
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8A2C
 | | The crystal structure of the S178A mutant of PET40, a PETase enzyme from an unclassified Amycolatopsis | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Costanzi, E, Applegate, V, Port, A, Smits, S.H.J. | | Deposit date: | 2022-06-03 | | Release date: | 2023-06-14 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The metagenome-derived esterase PET40 is highly promiscuous and hydrolyses polyethylene terephthalate (PET).
Febs J., 291, 2024
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8B4U
 | | The crystal structure of PET46, a PETase enzyme from Candidatus bathyarchaeota | | Descriptor: | 1,2-ETHANEDIOL, Alpha/beta hydrolase, CHLORIDE ION, ... | | Authors: | Costanzi, E, Applegate, V, Schumacher, J, Smits, S.H.J. | | Deposit date: | 2022-09-21 | | Release date: | 2023-08-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | An archaeal lid-containing feruloyl esterase degrades polyethylene terephthalate.
Commun Chem, 6, 2023
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6Z68
 | | A novel metagenomic alpha/beta-fold esterase | | Descriptor: | Acetyl esterase/lipase, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Bollinger, A, Thies, S, Hoeppner, A, Kobus, S, Jaeger, K.-E, Smits, S.H.J. | | Deposit date: | 2020-05-28 | | Release date: | 2020-12-30 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structures of a novel family IV esterase in free and substrate-bound form.
Febs J., 288, 2021
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6Z69
 | | A novel metagenomic alpha/beta-fold esterase | | Descriptor: | 7-hydroxy-4-methyl-2H-chromen-2-one, Acetyl esterase/lipase, MAGNESIUM ION, ... | | Authors: | Bollinger, A, Thies, S, Hoeppner, A, Kobus, S, Jaeger, K.-E, Smits, S.H.J. | | Deposit date: | 2020-05-28 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystal structures of a novel family IV esterase in free and substrate-bound form.
Febs J., 288, 2021
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3R6U
 | | Crystal structure of choline binding protein OpuBC from Bacillus subtilis | | Descriptor: | CHOLINE ION, Choline-binding protein | | Authors: | Pittelkow, M, Tschapek, B, Smits, S.H.J, Schmitt, L, Bremer, E. | | Deposit date: | 2011-03-22 | | Release date: | 2011-06-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | The Crystal Structure of the Substrate-Binding Protein OpuBC from Bacillus subtilis in Complex with Choline.
J.Mol.Biol., 411, 2011
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2REJ
 | | ABC-transporter choline binding protein in unliganded semi-closed conformation | | Descriptor: | PUTATIVE GLYCINE BETAINE ABC TRANSPORTER PROTEIN | | Authors: | Oswald, C, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Le Rudulier, D, Schmitt, L, Bremer, E. | | Deposit date: | 2007-09-26 | | Release date: | 2008-09-16 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of the choline/acetylcholine substrate-binding protein ChoX from Sinorhizobium meliloti in the liganded and unliganded-closed states.
J.Biol.Chem., 283, 2008
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2REG
 | | ABC-transporter choline binding protein in complex with choline | | Descriptor: | CHOLINE ION, PUTATIVE GLYCINE BETAINE-BINDING ABC TRANSPORTER PROTEIN | | Authors: | Oswald, C, Schimtt, L, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Bremer, E. | | Deposit date: | 2007-09-26 | | Release date: | 2008-09-16 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of the choline/acetylcholine substrate-binding protein ChoX from Sinorhizobium meliloti in the liganded and unliganded-closed states.
J.Biol.Chem., 283, 2008
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2RF1
 | | Crystal structure of ChoX in an unliganded closed conformation | | Descriptor: | PUTATIVE GLYCINE BETAINE-BINDING ABC TRANSPORTER PROTEIN | | Authors: | Oswald, C, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Le Rudulier, D, Schmitt, L, Bremer, E. | | Deposit date: | 2007-09-27 | | Release date: | 2008-09-16 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the choline/acetylcholine substrate-binding protein ChoX from Sinorhizobium meliloti in the liganded and unliganded-closed states.
J.Biol.Chem., 283, 2008
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2RIN
 | | ABC-transporter choline binding protein in complex with acetylcholine | | Descriptor: | ACETYLCHOLINE, PUTATIVE GLYCINE BETAINE-BINDING ABC TRANSPORTER PROTEIN | | Authors: | Oswald, C, Smits, S.H.J, Hoeing, M, Sohn-Boeser, L, Le Rudulier, D, Schmitt, L, Bremer, E. | | Deposit date: | 2007-10-12 | | Release date: | 2008-09-30 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of the choline/acetylcholine substrate-binding protein ChoX from Sinorhizobium meliloti in the liganded and unliganded-closed states.
J.Biol.Chem., 283, 2008
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7PZJ
 | | Structure of a bacteroidetal polyethylene terephthalate (PET) esterase | | Descriptor: | Lipase, POTASSIUM ION | | Authors: | Zang, H, Dierkes, R, Perez-Garcia, P, Weigert, S, Sternagel, S, Hallam, S.J, Applegate, V, Schumacher, J, Schott, T, Pleiss, J, Almeida, A, Hoecker, B, Smits, S.H, Schmitz, R.A, Chow, J, Streit, W.R. | | Deposit date: | 2021-10-12 | | Release date: | 2022-03-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Bacteroidetes Aequorivita sp. and Kaistella jeonii Produce Promiscuous Esterases With PET-Hydrolyzing Activity.
Front Microbiol, 12, 2021
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5BXX
 | | Crystal structure of the ectoine synthase from the cold-adapted marine bacterium Sphingopyxis alaskensis | | Descriptor: | L-ectoine synthase | | Authors: | Widderich, N, Kobus, S, Hoeppner, A, Bremer, E, Smits, S.H.J. | | Deposit date: | 2015-06-09 | | Release date: | 2016-04-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biochemistry and Crystal Structure of Ectoine Synthase: A Metal-Containing Member of the Cupin Superfamily.
Plos One, 11, 2016
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5BY5
 | | High resolution structure of the ectoine synthase from the cold-adapted marine bacterium Sphingopyxis alaskensis | | Descriptor: | L-ectoine synthase, S-1,2-PROPANEDIOL | | Authors: | Widderich, N, Kobus, S, Hoeppner, A, Bremer, E, Smits, S.H.J. | | Deposit date: | 2015-06-10 | | Release date: | 2016-04-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Biochemistry and Crystal Structure of Ectoine Synthase: A Metal-Containing Member of the Cupin Superfamily.
Plos One, 11, 2016
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7QYF
 | | Structure of the transaminase PluriZyme variant (TR2E2) | | Descriptor: | Aminotransferase TR2 | | Authors: | Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V. | | Deposit date: | 2022-01-28 | | Release date: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew Chem Int Ed Engl, 61, 2022
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7QX3
 | | Structure of the transaminase TR2E2 with EOS | | Descriptor: | 2-azanylethyl hydrogen sulfate, Aminotransferase TR2 | | Authors: | Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V. | | Deposit date: | 2022-01-26 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7QX0
 | | Transaminase Structure of Plurienzyme (Tr2E2) in complex with PLP | | Descriptor: | Aminotransferase TR2, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V. | | Deposit date: | 2022-01-26 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew Chem Int Ed Engl, 61, 2022
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