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4QWV
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BU of 4qwv by Molmil
A PBP-like protein built from fragments of different folds
Descriptor: High-affinity leucine-specific transport system periplasmic binding protein, Chemotaxis protein CheY
Authors:Hocker, B, Farias-Rico, J.A, Goetz, S, Toledo-Patino, S.
Deposit date:2014-07-17
Release date:2016-01-27
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2.447 Å)
Cite:A PBP-like protein built from fragments of different folds
To be Published
2W6R
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BU of 2w6r by Molmil
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
4Q37
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BU of 4q37 by Molmil
Crystal structure of the hypothetical protein TM0182 Thermotoga maritima, N-terminal domain.
Descriptor: PLATINUM (II) ION, Radical SAM protein
Authors:Hocker, B, Farias-Rico, J.A.
Deposit date:2014-04-11
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Evolutionary relationship of two ancient protein superfolds.
Nat.Chem.Biol., 10, 2014
8ASZ
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BU of 8asz by Molmil
PotF with mutations S87Y and A182D in complex with Agmatine
Descriptor: 1,2-ETHANEDIOL, AGMATINE, CALCIUM ION, ...
Authors:Kroeger, P, Shanmugaratnam, S, Hocker, B.
Deposit date:2022-08-22
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:A fluorescent biosensor for the visualization of Agmatine
To Be Published
8AT0
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BU of 8at0 by Molmil
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
5OWF
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BU of 5owf by Molmil
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
3CWO
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BU of 3cwo by Molmil
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
7QSQ
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BU of 7qsq by Molmil
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
7QSP
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BU of 7qsp by Molmil
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
5BVL
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BU of 5bvl by Molmil
Crystal structure of a de novo designed TIM-barrel
Descriptor: designed TIM barrel sTIM11
Authors:Feldmeier, K, Hocker, B.
Deposit date:2015-06-05
Release date:2015-11-18
Last modified:2015-12-30
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:De novo design of a four-fold symmetric TIM-barrel protein with atomic-level accuracy.
Nat.Chem.Biol., 12, 2016
6Z2I
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BU of 6z2i by Molmil
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:2021-08-04
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
7A8S
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BU of 7a8s by Molmil
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
4J5N
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BU of 4j5n by Molmil
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
2WRZ
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BU of 2wrz by Molmil
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
6T1G
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BU of 6t1g by Molmil
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
2GHB
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BU of 2ghb by Molmil
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
2GHA
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BU of 2gha by Molmil
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
6YED
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BU of 6yed by Molmil
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
6YE6
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BU of 6ye6 by Molmil
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
6YE8
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BU of 6ye8 by Molmil
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
6YEB
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BU of 6yeb by Molmil
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
6YE7
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BU of 6ye7 by Molmil
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
6YE0
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BU of 6ye0 by Molmil
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
6YEC
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BU of 6yec by Molmil
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
6YQY
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BU of 6yqy by Molmil
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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