3D-structures (X-ray, NMR & Computational models)
X-ray crystallography, NMR & Computational models)
| Name | Description | Download | Reference |
|---|---|---|---|
|
DeNovoTIM13-SB, a de novo designed TIM barrel with a salt-bridge cluster |
7P12 | Kordes et al., 2021 | |
|
DeNovoTIM6-SB, a de novo designed TIM barrel with a salt-bridge cluster (crystal form 2) |
7OT8 | Kordes et al., 2021 | |
| DeNovoTIM6-SB |
DeNovoTIM6-SB, a de novo designed TIM barrel with a salt-bridge cluster (crystal form 1) |
7OSV | Kordes et al., 2021 |
| sTIM11noCys-SB |
sTIM11noCys-SB, a de novo designed TIM barrel with a salt-bridge cluster (crystal form 2) |
7OT7 | Kordes et al., 2021 |
| sTIM11noCys-SB |
sTIM11noCys-SB, a de novo designed TIM barrel with a salt-bridge cluster (crystal form 1) |
7OSU | Kordes et al., 2021 |
| PotF/D (4JDF reprocessed) | E.coli's putrescine receptor variant PotF/D in complex with spermidine | 7OYZ | Kröger et al., 2021 |
| PotF/D S247D | E.coli's putrescine receptor variant PotF/D (4JDF) with mutation S247D in complex with spermidine | 7OYY | Kröger et al., 2021 |
| PotF/D E39D Y87S F88Y S247D | E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D Y87S F88Y S247D in complex with spermidine | 7OYX | Kröger et al., 2021 |
| PotF/D E39D F88L S247D | E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D F88L S247D in complex with spermidine | 7OYW | Kröger et al., 2021 |
| PotF/D E39D F88A S247D | E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D F88A S247D in complex with spermidine | 7OYV | Kröger et al., 2021 |
| PotF/D E39D Y87S F88Y | E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D Y87S F88Y in complex with spermidine | 7OYU | Kröger et al., 2021 |
| PotF/D E39D F88L | E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D F88L in complex with spermidine | 7OYT | Kröger et al., 2021 |
| PotF/D E39D Y87S | E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D Y87S in complex with spermidine | 7OYS | Kröger et al., 2021 |
| sTIM11noCys | Crystal structure of sTIM11noCys, a de novo designed TIM barrel | 6YQY | Romero-Romero et al., 2021 |
| DeNovoTIM6 | Crystal structure of DeNovoTIM6, a de novo designed TIM barrel | 6Z2I | Romero-Romero et al., 2021 |
| DeNovoTIM13 | Crystal structure of DeNovoTIM13, a de novo designed TIM barrel | 6YQX | Romero-Romero et al., 2021 |
| Streptavidin S112I Q114A R121A L124Y + biotinylated 4-(piperidin-1-yl)pyridine | Streptavidin S112I Q114A R121A L124Y complexed with biotinylated 4-(piperidin-1-yl)pyridine | 6T32 | Lechner et al., 2021 |
| Streptavidin S112F Q114A R121A L124Y + biotinylated 4-(piperidin-1-yl)pyridine | Streptavidin S112F Q114A R121A L124Y complexed with biotinylated 4-(piperidin-1-yl)pyridine | 6T31 | Lechner et al., 2021 |
| Streptavidin Q114A R121A + biotinylated 4-(piperidin-1-yl)pyridine | Streptavidin Q114A R121A complexed with biotinylated 4-(piperidin-1-yl)pyridine | 6T30 | Lechner et al., 2021 |
| Streptavidin S112M Q114A R121A + biotinylated 4-(piperidin-1-yl)pyridine | Streptavidin S112M Q114A R121A complexed with biotinylated 4-(piperidin-1-yl)pyridine | 6T2Z | Lechner et al., 2021 |
| Streptavidin S112A Q114A R121A L124Y + biotinylated 4-(piperidin-1-yl)pyridine | Streptavidin S112A Q114A R121A L124Y complexed with biotinylated 4-(piperidin-1-yl)pyridine | 6T2Y | Lechner et al., 2021 |
| Streptavidin S112A Q114A R121A + biotinylated 4-(piperidin-1-yl)pyridine | Streptavidin S112A Q114A R121A complexed with biotinylated 4-(piperidin-1-yl)pyridine | 6T2L | Lechner et al., 2021 |
| Streptavidin S112A R121A + biotinylated 4-(piperidin-1-yl)pyridine | Streptavidin S112A R121A complexed with biotinylated 4-(piperidin-1-yl)pyridine | 6T1K | Lechner et al., 2021 |
| Streptavidin S112A Q114T R121A + biotinylated 4-(piperidin-1-yl)pyridine | Streptavidin S112A Q114T R121A complexed with biotinylated 4-(piperidin-1-yl)pyridine | 6T1G | Lechner et al., 2021 |
| Streptavidin wt + biotinylated 4-(piperidin-1-yl)pyridine | Streptavidin wt complexed with biotinylated 4-(piperidin-1-yl)pyridine | 6T1E | Lechner et al., 2021 |
| TrpR M42F T44L T81I S88Y + IAN | E. coli Tryptophan Repressor M42F T44L T81I S88Y complexed with Indole-3-Acetonitrile | 6ELG | Herud-Sikimic et al., 2021 |
| TrpR M42F T44L T81I S88Y + IAA | E. coli Tryptophan Repressor M42F T44L T81I S88Y complexed with Indole-3-Acetic Acid | 6ELF | Herud-Sikimic et al., 2021 |
| TrpR M42F T44L T81M N87G S88Y + IAA | E. coli Tryptophan Repressor M42F T44L T81M N87G S88Y complexed with Indole-3-Acetic Acid | 6ELB | Herud-Sikimic et al., 2021 |
| TrpR T44L T81M N87G S88Y + IAA | E. coli Tryptophan Repressor T44L T81M N87G S88Y complexed with Indole-3-Acetic Acid | 6ENN | Herud-Sikimic et al., 2021 |
| TrpR T44L T81M S88Y + IAA | E. coli Tryptophan Repressor T44L T81M S88Y complexed with Indole-3-Acetic Acid | 6EKP | Herud-Sikimic et al., 2021 |
| TrpR T44L S88Y + IAA | E. coli Tryptophan Repressor T44L S88Y complexed with Indole-3-Acetic Acid | 6ENI | Herud-Sikimic et al., 2021 |
| TrpR S88Y + IAA | E. coli Tryptophan Repressor S88Y complexed with Indole-3-Acetic Acid | 6EJZ | Herud-Sikimic et al., 2021 |
| TrpR wt + IAA | E. coli Tryptophan Repressor complexed with Indole-3-Acetic Acid | 6EJW | Herud-Sikimic et al., 2021 |
| sTIM11_helix3 | de novo designed ba8-barrel sTIM11 with an alpha-helical extension | 7A8S | Wiese et al., 2021 |
| PotF + CDV | E.coli's Putrescine receptor PotF complexed with Cadaverine | 6YE7 | Kröger et al., 2020 |
| PotF + AGM | E.coli's Putrescine receptor PotF complexed with Agmatine | 6YE6 | Kröger et al., 2020 |
| PotF + SPD | E.coli's Putrescine receptor PotF complexed with Spermidine | 6YE8 | Kröger et al., 2020 |
| PotF + PUT | E.coli's Putrescine receptor PotF complexed with Putrescine | 6YE0 | Kröger et al., 2020 |
| PotF + SPM | E.coli's Putrescine receptor PotF complexed with Spermine | 6YEC | Kröger et al., 2020 |
| PotF apo closed | E.coli's Putrescine receptor PotF in its closed apo state | 6YEB | Kröger et al., 2020 |
| PotF apo open | E.coli's Putrescine receptor PotF in its open apo state | 6YED | Kröger et al., 2020 |
| TrpR + 5-Met-L-Trp | Tryptophan Repressor TrpR from E.coli with 5-methyl-L-tryptophan as ligand | 6F9K | Stiel et al., 2020 |
| TrpR + 5-Met-tryptamine | Tryptophan Repressor TrpR from E.coli with 5-Methyltryptamine | 6F7G | Stiel et al., 2020 |
| TrpR + IPA | Tryptophan Repressor TrpR from E.coli with 3-Indolepropionic acid | 6F7F | Stiel et al., 2020 |
| TrpR S88Y + IPA | Tryptophan Repressor TrpR from E.coli with 3-Indolepropionic acid | 6FAL | Stiel et al., 2020 |
| LAO L117K | LAO L117K mutant with Glutamin bound | 5OWF | Banda-Vazquez et al., 2018 |
| de novo TIM-barrel | Crystal structure of a designed, four-fold symmetric TIM-barrel protein | 5BVL | Huang, Feldmeier et al., 2016 |
| N-TM0182 | The sequence of N-TM0182 is equally related to two different folds | 4Q37 | Farias-Rico et al., 2014 |
| PotF_SPD | Putrescine binding protein engineered to bind spermidine | 4JDF | Scheib et al., 2013 |
| Eno D321A | Enolase with substitution D321A plus 2-PGA | 2XH7 | Schreier et al., 2010 |
| Eno S39A D321A | Enolase with substitution S39A and D321A plus 2-PGA | 2XH4 | Schreier et al., 2010 |
| Eno S39N D321A | Enolase with substitution S39N and D321A plus 2-PGA | 2XH2 | Schreier et al., 2010 |
| Eno S39N Q167K | Enolase with substitution S39N, Q167K and D321R plus PEP | 2XH0 | Schreier et al., 2010 |
| Eno S39N D321R | Enolase with substitution S39N and D321R plus PEP | 2XGZ | Schreier et al., 2010 |
| ABP-stn | Arabinose binding protein designed to bind serotonin, but without its ligand | 2WRZ | Schreier et al., 2009 |
| HisA-II | HisA mutated to perform the reaction of TrpF | 2W79 | Claren et al., 2009 |
| HisF-C***C | Artificial (ba)8-barrel build from identical halves | 2W6R | Höcker et al., 2009 |
| CheYHisF | Chimeric protein build from fragments of CheY and HisF | Bharat et al., 2008 |
NMR Structures
| Name | Description | Download | Reference |
|---|---|---|---|
| cU3Sd | Reconstructing the Origins of the HemD-like fold | 6TH8 | Toledo-Patiño et al., 2019 |
| CheYHisF-RM | Chimeric protein build from CheY and HisF optimized by computational design | 2LLE | Eisenbeis et al., 2012 |
Computational Models
| Name | Description | Download | Reference |
|---|---|---|---|
| CheYHisF-input | Homology model of the chimera CheYHisF, input for design calculations | more ... | Eisenbeis et al., 2012 |
| CheYHisF-Rosetta | CheYHisF with mutations suggested by computational design with Rosetta | more ... | Eisenbeis et al., 2012 |