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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4Q37
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8ASZ
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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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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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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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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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5BVL
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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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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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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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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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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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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: | 2021-05-12 | | 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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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 | | Method: | SOLUTION NMR | | Cite: | Potential of fragment recombination for rational design of proteins.
J.Am.Chem.Soc., 134, 2012
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7P12
 | | DeNovoTIM13-SB, a de novo designed TIM barrel with a salt-bridge cluster | | Descriptor: | CHLORIDE ION, DeNovoTIM13-SB, PHOSPHATE ION | | Authors: | Kordes, S, Romero-Romero, S, Hocker, B. | | Deposit date: | 2021-07-01 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A newly introduced salt bridge cluster improves structural and biophysical properties of de novo TIM barrels.
Protein Sci., 31, 2022
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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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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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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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