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
|
|
4Q37
| |
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
|
|
8ASZ
| |
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
|
|
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
|
|
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
|
|
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
|
|
5BVL
| |
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
|
|
7PU4
| |
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
|
|
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
|
|
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
|
|
8R8N
| |
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|