4Q37
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2W6R
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![BU of 2w6r by Molmil](/molmil-images/mine/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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2LLE
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![BU of 2lle by Molmil](/molmil-images/mine/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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7A8S
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![BU of 7a8s by Molmil](/molmil-images/mine/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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5BVL
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![BU of 5bvl by Molmil](/molmil-images/mine/5bvl) | |
5OWF
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![BU of 5owf by Molmil](/molmil-images/mine/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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8AT0
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![BU of 8at0 by Molmil](/molmil-images/mine/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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8R8N
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3CWO
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![BU of 3cwo by Molmil](/molmil-images/mine/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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8ASZ
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8Q52
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![BU of 8q52 by Molmil](/molmil-images/mine/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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8R8O
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![BU of 8r8o by Molmil](/molmil-images/mine/8r8o) | Hallucinated de novo TIM barrel with three helical extensions - HalluTIM3-1 | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Beck, J, Shanmugaratnam, S, Hocker, B. | Deposit date: | 2023-11-29 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Diversifying de novo TIM barrels by hallucination. Protein Sci., 33, 2024
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4J5N
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![BU of 4j5n by Molmil](/molmil-images/mine/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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7Q1S
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![BU of 7q1s by Molmil](/molmil-images/mine/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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7Q1R
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![BU of 7q1r by Molmil](/molmil-images/mine/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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7Q1T
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![BU of 7q1t by Molmil](/molmil-images/mine/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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7PU4
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7QSQ
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![BU of 7qsq by Molmil](/molmil-images/mine/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
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![BU of 7qsp by Molmil](/molmil-images/mine/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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7Q1Q
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![BU of 7q1q by Molmil](/molmil-images/mine/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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2WRZ
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![BU of 2wrz by Molmil](/molmil-images/mine/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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2W79
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![BU of 2w79 by Molmil](/molmil-images/mine/2w79) | Establishing wild-type levels of catalytic activity on natural and artificial (ba)8-barrel protein scaffolds | Descriptor: | 1-(5-PHOSPHORIBOSYL)-5-[(5-PHOSPHORIBOSYLAMINO) METHYLIDENEAMINO] IMIDAZOLE-4-CARBOXAMIDE ISOMERASE, CHLORIDE ION | Authors: | Claren, J, Malisi, C, Hocker, B, Sterner, R. | Deposit date: | 2008-12-21 | Release date: | 2009-02-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Establishing Wild-Type Levels of Catalytic Activity on Natural and Artificial (Beta Alpha)8- Barrel Protein Scaffolds. Proc.Natl.Acad.Sci.USA, 106, 2009
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2GHB
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![BU of 2ghb by Molmil](/molmil-images/mine/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
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![BU of 2gha by Molmil](/molmil-images/mine/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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6YE6
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![BU of 6ye6 by Molmil](/molmil-images/mine/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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