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 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular handcraft of a well-folded protein chimera.
Febs Lett., 598, 2024
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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: | 2024-11-06 | | 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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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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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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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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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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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: | 2024-10-23 | | 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: | 2024-11-06 | | 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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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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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: | 2024-10-23 | | 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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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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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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7OYT
 | | E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D F88L in complex with spermidine | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | | Deposit date: | 2021-06-25 | | Release date: | 2021-12-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 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: | 2024-11-06 | | 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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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: | 2024-10-23 | | 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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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: | 2024-10-23 | | 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: | 2024-10-23 | | 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: | 2024-11-06 | | 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: | 2024-10-16 | | 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: | 2024-10-23 | | 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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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: | 2024-11-06 | | 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: | 2024-11-06 | | 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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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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6SLD
 | | Structure of the Phosphatidylcholine Binding Mutant of Yeast Sec14 Homolog Sfh1 (S175I,T177I) in Complex with Phosphatidylinositol | | Descriptor: | (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CRAL-TRIO domain-containing protein YKL091C | | Authors: | Berger, J, Fitz, M, Johnen, P, Shanmugaratnam, S, Hocker, B, Stiel, A.C, Schaaf, G. | | Deposit date: | 2019-08-19 | | Release date: | 2020-08-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of the Phosphatidylcholine Binding Mutant of Yeast Sec14 Homolog Sfh1 (S175I,T177I) in Complex with Phosphatidylinositol
To Be Published
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