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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