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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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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6YQY
| Crystal structure of sTIM11noCys, a de novo designed TIM barrel | Descriptor: | de novo designed TIM barrel sTIM11noCys | Authors: | Romero-Romero, S, Wiese, G.J, Kordes, S, Shanmugaratnam, S, Fernandez-Velasco, D.A, Hocker, B. | Deposit date: | 2020-04-18 | Release date: | 2021-07-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.876 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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6YQX
| Crystal structure of DeNovoTIM13, a de novo designed TIM barrel | Descriptor: | CHLORIDE ION, GLYCEROL, de novo designed TIM barrel DeNovoTIM13 | Authors: | Romero-Romero, S, Kordes, S, Shanmugaratnam, S, Fernandez-Velasco, D.A, Hocker, B. | Deposit date: | 2020-04-18 | Release date: | 2021-07-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.638 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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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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2GHA
| Thermotoga maritima maltotriose binding protein bound with maltotriose | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 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 (1.6 Å) | Cite: | T. maritima maltotriose binding protein To be Published
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2LLE
| Computational design of an eight-stranded (beta/alpha)-barrel from fragments of different folds | Descriptor: | Chemotaxis protein CheY, Imidazole glycerol phosphate synthase subunit HisF chimera | Authors: | Coles, M, Truffault, V, Eisenbeis, S, Proffitt, W, Meiler, J, Hocker, B. | Deposit date: | 2011-11-07 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Potential of fragment recombination for rational design of proteins. J.Am.Chem.Soc., 134, 2012
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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: | 2024-05-01 | 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: | 2024-05-01 | 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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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: | 2024-05-01 | 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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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: | 2024-05-01 | 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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6T1G
| Streptavidin variants harbouring an artificial organocatalyst based cofactor | Descriptor: | 1,2-ETHANEDIOL, 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide, Streptavidin | Authors: | Lechner, H, Hocker, B. | Deposit date: | 2019-10-04 | Release date: | 2020-10-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*. Chembiochem, 22, 2021
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6ELG
| Tryptophan Repressor TrpR from E.coli variant M42F T44L T81I S88Y with Indole-3-acetonitrile | Descriptor: | 1H-indol-3-ylacetonitrile, 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 (1.38 Å) | Cite: | A biosensor for the direct visualization of auxin Nature, 2021
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6ENI
| Tryptophan Repressor TrpR from E.coli variant T44L S88Y with Indole-3-acetic acid as ligand | Descriptor: | 1,2-ETHANEDIOL, 1H-INDOL-3-YLACETIC ACID, Trp operon repressor | Authors: | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | Deposit date: | 2017-10-04 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | A biosensor for the direct visualization of auxin Nature, 2021
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6EJZ
| Tryptophan Repressor TrpR from E.coli variant S88Y with Indole-3-acetic acid as ligand | Descriptor: | 1,2-ETHANEDIOL, 1H-INDOL-3-YLACETIC ACID, SULFATE ION, ... | Authors: | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | Deposit date: | 2017-09-24 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A biosensor for the direct visualization of auxin Nature, 2021
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6EKP
| Tryptophan Repressor TrpR from E.coli variant T44L T81M S88Y with Indole-3-acetic acid as ligand | Descriptor: | 1H-INDOL-3-YLACETIC ACID, 3,6,9,12,15-PENTAOXAHEPTADECANE, Trp operon repressor | Authors: | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | Deposit date: | 2017-09-26 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | A biosensor for the direct visualization of auxin Nature, 2021
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6ENN
| Tryptophan Repressor TrpR from E.coli variant 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: | 2017-10-05 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | A biosensor for the direct visualization of auxin Nature, 2021
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6ELF
| Tryptophan Repressor TrpR from E.coli variant M42F T44L T81I 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 (1.832 Å) | Cite: | A biosensor for the direct visualization of auxin Nature, 2021
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7OYZ
| E.coli's putrescine receptor variant PotF/D in complex with spermidine | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Putrescine-binding periplasmic protein PotF, ... | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Fine-tuning spermidine binding modes in the putrescine binding protein PotF. J.Biol.Chem., 297, 2021
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7OYW
| E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D F88L S247D in complex with spermidine | 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: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Fine-tuning spermidine binding modes in the putrescine binding protein PotF. J.Biol.Chem., 297, 2021
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7OYS
| E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D Y87S in complex with spermidine | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Fine-tuning spermidine binding modes in the putrescine binding protein PotF. J.Biol.Chem., 297, 2021
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7OYU
| E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D Y87S F88Y in complex with spermidine | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Putrescine-binding periplasmic protein PotF, ... | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Fine-tuning spermidine binding modes in the putrescine binding protein PotF. J.Biol.Chem., 297, 2021
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7OYX
| E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D Y87S F88Y S247D in complex with spermidine | Descriptor: | (2~{R})-1-(2-methoxyethoxy)propan-2-amine, (2~{R})-1-[(2~{R})-1-[(2~{S})-1-[(2~{S})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-amine, (2~{S})-1-(2-methoxyethoxy)propan-2-amine, ... | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Fine-tuning spermidine binding modes in the putrescine binding protein PotF. J.Biol.Chem., 297, 2021
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7OYY
| E.coli's putrescine receptor variant PotF/D (4JDF) with mutation S247D in complex with spermidine | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kroeger, P, Shanmugaratnam, S, Hocker, B. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Fine-tuning spermidine binding modes in the putrescine binding protein PotF. J.Biol.Chem., 297, 2021
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7OYV
| E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D F88A S247D in complex with spermidine | Descriptor: | (2R)-1-methoxypropan-2-amine, (2~{R})-1-[(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine, (2~{S})-1-methoxypropan-2-amine, ... | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fine-tuning spermidine binding modes in the putrescine binding protein PotF. J.Biol.Chem., 297, 2021
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