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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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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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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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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4MHU
 | | Crystal structure of EctD from S. alaskensis with bound Fe | | Descriptor: | Ectoine hydroxylase, FE (III) ION, N-DODECYL-N,N-DIMETHYLGLYCINATE | | Authors: | Widderich, N, Hoeppner, A, Pittelkow, M, Heider, J, Smits, S.H, Bremer, E. | | Deposit date: | 2013-08-30 | | Release date: | 2014-09-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Crystal structure of the ectoine hydroxylase, a snapshot of the active site.
J.Biol.Chem., 289, 2014
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4MHR
 | | Crystal structure of EctD from S. alaskensis in its apoform | | Descriptor: | Ectoine hydroxylase | | Authors: | Widderich, N, Hoeppner, A, Pittelkow, M, Heider, J, Smits, S.H, Bremer, E. | | Deposit date: | 2013-08-30 | | Release date: | 2014-09-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the ectoine hydroxylase, a snapshot of the active site.
J.Biol.Chem., 289, 2014
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8S5R
 | | Structure of the Chlamydia pneumoniae effector SemD | | Descriptor: | Effector SemD | | Authors: | Kocher, F, Applegate, V, Reiners, J, Port, A, Spona, D, Haensch, S, Smits, S.H, Hegemann, J, Moelleken, K. | | Deposit date: | 2024-02-25 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the Chlamydia pneumoniae effector SemD
To Be Published
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8S5T
 | | Structure of SemD in complex | | Descriptor: | Effector SemD, Neural Wiskott-Aldrich syndrome protein | | Authors: | Kocher, F, Applegate, V, Port, A, Reiners, J, Spona, D, Haensch, S, Smits, S.H, Hegemann, J, Moelleken, K. | | Deposit date: | 2024-02-25 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of SemD in complex
To Be Published
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7PZE
 | | MademoiseLLE domain 2 of Rrm4 from Ustilago maydis | | Descriptor: | Chromosome 8, whole genome shotgun sequence | | Authors: | Devans, S, Schott-Verdugo, s, Muentjes, K, Olgeiser, L, Reiners, J, Schmitt, L, Hoeppner, A, Smits, S.H, Gohlke, H, Feldbruegge, M. | | Deposit date: | 2021-10-12 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A MademoiseLLE domain binding platform links the key RNA transporter to endosomes.
Plos Genet., 18, 2022
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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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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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4Y68
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5DCL
 | | Structure of a lantibiotic response regulator: N terminal domain of the nisin resistance regulator NsrR | | Descriptor: | 1,2-ETHANEDIOL, PhoB family transcriptional regulator | | Authors: | Khosa, S, Kleinschrodt, D, Hoeppner, A, Smits, S.H. | | Deposit date: | 2015-08-24 | | Release date: | 2016-03-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Structure of the Response Regulator NsrR from Streptococcus agalactiae, Which Is Involved in Lantibiotic Resistance.
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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7QYG
 | | Structure of the transaminase TR2 | | 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: | 2023-08-16 | | 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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4MEE
 | | Crystal structure of the transport unit of the autotransporter AIDA-I from Escherichia coli | | Descriptor: | Diffuse adherence adhesin | | Authors: | Gawarzewski, I, Tschapek, B, Hoeppner, A, Smits, S.H, Jose, J, Schmitt, L. | | Deposit date: | 2013-08-26 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of the transport unit of the autotransporter adhesin involved in diffuse adherence from Escherichia coli.
J.Struct.Biol., 187, 2014
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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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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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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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3MAM
 | | A molecular switch changes the low to the high affinity state in the substrate binding protein AfProX | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Osmoprotection protein (ProX), ... | | Authors: | Tschapek, B, Pittelkow, M, Bremer, E, Schmitt, L, Smits, S.H. | | Deposit date: | 2010-03-24 | | Release date: | 2011-04-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Arg149 Is Involved in Switching the Low Affinity, Open State of the Binding Protein AfProX into Its High Affinity, Closed State.
J.Mol.Biol., 411, 2011
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6EYL
 | | Crystal structure of OpuBC in complex with carnitine | | Descriptor: | CARNITINE, Osmotically activated L-carnitine/choline ABC transporter substrate-binding protein OpuCC | | Authors: | Peherstorfer, S, Teichmann, L, Smits, S.H, Sschmitt, L, Bremer, E. | | Deposit date: | 2017-11-13 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Reprogramming the substrate specificity of an ABC import system by a single amino acid substitution in its cognate ligand binding protein
To Be Published
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