5MED
 
 | | Cyanothece lipoxygenase 2 (CspLOX2) | | Descriptor: | 1,3-PROPANDIOL, 1,4-BUTANEDIOL, 1-BUTANOL, ... | | Authors: | Newie, J, Neumann, P, Werner, M, Mata, R.A, Ficner, R, Feussner, I. | | Deposit date: | 2016-11-14 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation.
Sci Rep, 7, 2017
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5MEF
 | | Cyanothece lipoxygenase 2 (CspLOX2) variant - L304F | | Descriptor: | Arachidonate 15-lipoxygenase, CHLORIDE ION, FE (III) ION, ... | | Authors: | Newie, J, Neumann, P, Werner, M, Mata, R.A, Ficner, R, Feussner, I. | | Deposit date: | 2016-11-14 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.357 Å) | | Cite: | Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation.
Sci Rep, 7, 2017
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5MEE
 | | Cyanothece lipoxygenase 2 (CspLOX2) variant - L304V | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Arachidonate 15-lipoxygenase, FE (III) ION, ... | | Authors: | Newie, J, Neumann, P, Werner, M, Mata, R.A, Ficner, R, Feussner, I. | | Deposit date: | 2016-11-14 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation.
Sci Rep, 7, 2017
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5MEG
 | | Manganese-substituted Cyanothece lipoxygenase 2 (Mn-CspLOX2) | | Descriptor: | Arachidonate 15-lipoxygenase, CHLORIDE ION, ETHANOL, ... | | Authors: | Newie, J, Neumann, P, Werner, M, Mata, R.A, Ficner, R, Feussner, I. | | Deposit date: | 2016-11-14 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation.
Sci Rep, 7, 2017
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7ZB8
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant K61A at 2.48 A resolution | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A. | | Deposit date: | 2022-03-23 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024
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7ZB6
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant C44S at 2.12 A resolution | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A. | | Deposit date: | 2022-03-23 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024
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7ZB7
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant Y54F at 1.63 A resolution | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL | | Authors: | Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A. | | Deposit date: | 2022-03-23 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024
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6HAD
 | | Human transketolase variant E160Q | | Descriptor: | CALCIUM ION, MAGNESIUM ION, SODIUM ION, ... | | Authors: | Dai, S, Sautner, V, Tittmann, K. | | Deposit date: | 2018-08-07 | | Release date: | 2019-08-21 | | Last modified: | 2021-08-04 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Low-barrier hydrogen bonds in enzyme cooperativity.
Nature, 573, 2019
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7B0L
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7AM9
 | | OMPD-domain of human UMPS in complex with the substrate OMP at 0.99 Angstroms resolution | | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | | Deposit date: | 2020-10-08 | | Release date: | 2021-11-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
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7ASQ
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7BBW
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7BBX
 | | Neisseria gonorrhoeae transaldolase, variant K8A | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Transaldolase | | Authors: | Rabe von Pappenheim, F, Wensien, M, Funk, L.M, Tittmann, K. | | Deposit date: | 2020-12-18 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
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6HAF
 | | Pyruvate oxidase variant E59Q from L. plantarum in complex with phosphate | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Funk, L.M, Sautner, V, Tittmann, K. | | Deposit date: | 2018-08-07 | | Release date: | 2019-08-21 | | Last modified: | 2021-08-04 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Low-barrier hydrogen bonds in enzyme cooperativity.
Nature, 573, 2019
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6HA3
 | | Human transketolase variant E160Q in covalent complex with donor ketose D-fructose-6-phosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol, CALCIUM ION, ... | | Authors: | Dai, S, Sautner, V, Tittmann, K. | | Deposit date: | 2018-08-07 | | Release date: | 2019-08-21 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Low-barrier hydrogen bonds in enzyme cooperativity.
Nature, 573, 2019
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5LF6
 | | Human 20S proteasome complex with Z-LLY-ketoaldehyde at 2.1 Angstrom | | Descriptor: | CHLORIDE ION, LLY-ketoaldehyde peptide, MAGNESIUM ION, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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5LF4
 | | Human 20S proteasome complex with Delanzomib at 2.0 Angstrom | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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5LEY
 | | Human 20S proteasome complex with Oprozomib at 1.9 Angstrom | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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5LF7
 | | Human 20S proteasome complex with Ixazomib at 2.0 Angstrom | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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5LF0
 | | Human 20S proteasome complex with Epoxomicin at 2.4 Angstrom | | Descriptor: | CHLORIDE ION, EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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5LEX
 | | Native human 20S proteasome in Mg-Acetate at 2.2 Angstrom | | Descriptor: | MAGNESIUM ION, PENTAETHYLENE GLYCOL, POTASSIUM ION, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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5LE5
 | | Native human 20S proteasome at 1.8 Angstrom | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-29 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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5LF3
 | | Human 20S proteasome complex with Bortezomib at 2.1 Angstrom | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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5LF1
 | | Human 20S proteasome complex with Dihydroeponemycin at 2.0 Angstrom | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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5LEZ
 | | Human 20S proteasome complex with Oprozomib in Mg-Acetate at 2.2 Angstrom | | Descriptor: | ACETATE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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