4Q37
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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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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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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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8ASZ
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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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5BVL
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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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7Q1S
| A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB_var | Descriptor: | 1,2-ETHANEDIOL, apCC-Di-A_var, apCC-Di-B_var | Authors: | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | Deposit date: | 2021-10-20 | Release date: | 2022-07-20 | Last modified: | 2022-08-31 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | De novo designed peptides for cellular delivery and subcellular localisation. Nat.Chem.Biol., 18, 2022
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7Q1T
| A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB | Descriptor: | N-PROPANOL, SULFATE ION, apCC-Di-A, ... | Authors: | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | Deposit date: | 2021-10-20 | Release date: | 2022-07-20 | Last modified: | 2022-08-31 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | De novo designed peptides for cellular delivery and subcellular localisation. Nat.Chem.Biol., 18, 2022
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7Q1R
| A de novo designed homo-dimeric antiparallel coiled coil apCC-Di | Descriptor: | ETHANOL, SODIUM ION, apCC-Di | Authors: | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | Deposit date: | 2021-10-20 | Release date: | 2022-07-20 | Last modified: | 2022-08-31 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | De novo designed peptides for cellular delivery and subcellular localisation. Nat.Chem.Biol., 18, 2022
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7PU4
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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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7Q1Q
| De novo designed homo-dimeric antiparallel helices Homomer-S | Descriptor: | ACETATE ION, Homomer-S | Authors: | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | Deposit date: | 2021-10-20 | Release date: | 2022-07-20 | Last modified: | 2022-08-31 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | De novo designed peptides for cellular delivery and subcellular localisation. Nat.Chem.Biol., 18, 2022
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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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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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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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6YEC
| E.coli's Putrescine receptor PotF complexed with Spermine | 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 (2.09 Å) | Cite: | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
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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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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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6YE0
| E.coli's Putrescine receptor PotF complexed with Putrescine | 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: | 2020-03-23 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
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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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2GHB
| Thermotoga maritima maltotriose binding protein, ligand free form | Descriptor: | maltose ABC transporter, periplasmic maltose-binding protein | Authors: | Cuneo, M.J, Changela, A, Hocker, B, Beese, L.S, Hellinga, H.W. | Deposit date: | 2006-03-27 | Release date: | 2007-02-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | T. maritima maltotriose binding protein open form To be Published
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