2W6R
 
 | | Crystal structure of an artificial (ba)8-barrel protein designed from identical half barrels | | Descriptor: | IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE SUBUNIT HISF | | Authors: | Hocker, B, Lochner, A, Seitz, T, Claren, J, Sterner, R. | | Deposit date: | 2008-12-18 | | Release date: | 2009-02-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High-Resolution Crystal Structure of an Artificial (Betaalpha)(8)-Barrel Protein Designed from Identical Half-Barrels.
Biochemistry, 48, 2009
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4Q37
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5OWF
 | | Structure of a LAO-binding protein mutant with glutamine | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLUTAMINE, ... | | Authors: | Shanmugaratnam, S, Banda-Vazquez, J, Sosa-Peinado, A, Hocker, B. | | Deposit date: | 2017-08-31 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Redesign of LAOBP to bind novel l-amino acid ligands.
Protein Sci., 27, 2018
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8ASZ
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8AT0
 | | PotF with mutation D247K | | Descriptor: | (2R)-1-methoxypropan-2-amine, (2~{S})-1-(2-methoxyethoxy)propan-2-amine, 1,2-ETHANEDIOL, ... | | Authors: | Kroeger, P, Shanmugaratnam, S, Hocker, B. | | Deposit date: | 2022-08-22 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A fluorescent biosensor for the visualization of Agmatine
To Be Published
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6EJW
 | | Tryptophan Repressor TrpR from E.coli wildtype with Indole-3-acetic acid as ligand | | Descriptor: | 1H-INDOL-3-YLACETIC ACID, Trp operon repressor | | Authors: | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | | Deposit date: | 2017-09-23 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A biosensor for the direct visualization of auxin
Nature, 2021
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6ELB
 | | Tryptophan Repressor TrpR from E.coli variant M42F T44L T81M N87G S88Y with Indole-3-acetic acid as ligand | | Descriptor: | 1H-INDOL-3-YLACETIC ACID, Trp operon repressor | | Authors: | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | | Deposit date: | 2017-09-28 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.437 Å) | | Cite: | A biosensor for the direct visualization of auxin
Nature, 2021
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3CWO
 | | A beta/alpha-barrel built by the combination of fragments from different folds | | Descriptor: | SULFATE ION, beta/alpha-barrel protein based on 1THF and 1TMY | | Authors: | Bharat, T.A.M, Eisenbeis, S, Zeth, K, Hocker, B. | | Deposit date: | 2008-04-22 | | Release date: | 2008-07-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A beta alpha-barrel built by the combination of fragments from different folds.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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5BVL
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6Z2I
 | | Crystal structure of DeNovoTIM6, a de novo designed TIM barrel | | Descriptor: | de novo designed TIM barrel DeNovoTIM6 | | Authors: | Romero-Romero, S, Kordes, S, Shanmugaratnam, S, Rodriguez-Romero, A, Fernandez-Velasco, D.A, Hocker, B. | | Deposit date: | 2020-05-15 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.901 Å) | | Cite: | The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach.
J.Mol.Biol., 433, 2021
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7PU4
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7A8S
 | | de novo designed ba8-barrel sTIM11 with an alpha-helical extension | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, sTIM11_h3 | | Authors: | Shanmugaratnam, S, Wiese, J.G, Hocker, B. | | Deposit date: | 2020-08-31 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Extension of a de novo TIM barrel with a rationally designed secondary structure element.
Protein Sci., 30, 2021
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7QSQ
 | | Permutated N-terminal lobe of the ribose binding protein from Thermotoga maritima | | Descriptor: | 1,2-ETHANEDIOL, Ribose ABC transporter, periplasmic ribose-binding protein, ... | | Authors: | Shanmugaratnam, S, Michel, F, Hocker, B. | | Deposit date: | 2022-01-14 | | Release date: | 2023-01-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structures of permuted halves of a modern ribose-binding protein.
Acta Crystallogr D Struct Biol, 79, 2023
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7QSP
 | | Permutated C-terminal lobe of the ribose binding protein from Thermotoga maritima | | Descriptor: | 1,2-ETHANEDIOL, Ribose ABC transporter, periplasmic ribose-binding protein | | Authors: | Shanmugaratnam, S, Michel, F, Hocker, B. | | Deposit date: | 2022-01-14 | | Release date: | 2023-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structures of permuted halves of a modern ribose-binding protein.
Acta Crystallogr D Struct Biol, 79, 2023
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8R8N
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8R8O
 | | Hallucinated de novo TIM barrel with three helical extensions - HalluTIM3-1 | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Beck, J, Shanmugaratnam, S, Hocker, B. | | Deposit date: | 2023-11-29 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Diversifying de novo TIM barrels by hallucination.
Protein Sci., 33, 2024
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8Q52
 | | A PBP-like protein built from fragments of different folds | | Descriptor: | Leucine-specific-binding protein,Chemotaxis protein CheY, SULFATE ION | | Authors: | Shanmugaratnam, S, Toledo-Patino, S, Goetz, S.K, Farias-Rico, J.A, Hocker, B. | | Deposit date: | 2023-08-08 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular handcraft of a well-folded protein chimera.
Febs Lett., 2024
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2WRZ
 | | Crystal structure of an arabinose binding protein with designed serotonin binding site in open, ligand-free state | | Descriptor: | L-ARABINOSE-BINDING PERIPLASMIC PROTEIN | | Authors: | Schreier, B, Stumpp, C, Wiesner, S, Hocker, B. | | Deposit date: | 2009-09-03 | | Release date: | 2009-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Computational Design of Ligand Binding is not a Solved Problem
Proc.Natl.Acad.Sci.USA, 106, 2009
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4J5N
 | | Crystal Structure of a Deinococcus radiodurans PTE-like lactonase (drPLL) mutant Y28L/D71N/E101G/E179D/V235L/L270M | | Descriptor: | COBALT (II) ION, Phosphotriesterase, putative | | Authors: | Meier, M.M, Rajendran, C, Malisi, C, Fox, N.G, Xu, C, Schlee, S, Barondeau, D.P, Hocker, B, Sterner, R, Raushel, F.M. | | Deposit date: | 2013-02-08 | | Release date: | 2013-07-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Molecular engineering of organophosphate hydrolysis activity from a weak promiscuous lactonase template.
J.Am.Chem.Soc., 135, 2013
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2W79
 | | Establishing wild-type levels of catalytic activity on natural and artificial (ba)8-barrel protein scaffolds | | Descriptor: | 1-(5-PHOSPHORIBOSYL)-5-[(5-PHOSPHORIBOSYLAMINO) METHYLIDENEAMINO] IMIDAZOLE-4-CARBOXAMIDE ISOMERASE, CHLORIDE ION | | Authors: | Claren, J, Malisi, C, Hocker, B, Sterner, R. | | Deposit date: | 2008-12-21 | | Release date: | 2009-02-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Establishing Wild-Type Levels of Catalytic Activity on Natural and Artificial (Beta Alpha)8- Barrel Protein Scaffolds.
Proc.Natl.Acad.Sci.USA, 106, 2009
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6YED
 | | E.coli's Putrescine receptor PotF in its open apo state | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | | Deposit date: | 2020-03-24 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF.
Structure, 29, 2021
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6YE6
 | | E.coli's Putrescine receptor PotF complexed with Agmatine | | Descriptor: | (2R)-1-methoxypropan-2-amine, (2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine, (2~{S})-1-(2-methoxyethoxy)propan-2-amine, ... | | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | | Deposit date: | 2020-03-24 | | Release date: | 2021-01-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF.
Structure, 29, 2021
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6YE8
 | | E.coli's Putrescine receptor PotF complexed with Spermidine | | Descriptor: | (2R)-1-methoxypropan-2-amine, (2~{S})-1-(2-methoxyethoxy)propan-2-amine, CHLORIDE ION, ... | | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | | Deposit date: | 2020-03-24 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF.
Structure, 29, 2021
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6YEB
 | | E.coli's Putrescine receptor PotF in its closed apo state | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | | Deposit date: | 2020-03-24 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF.
Structure, 29, 2021
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6YE7
 | | E.coli's Putrescine receptor PotF complexed with Cadaverine | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ... | | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | | Deposit date: | 2020-03-24 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF.
Structure, 29, 2021
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