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5MED
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BU of 5med by Molmil
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
5MEF
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BU of 5mef by Molmil
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
5MEE
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BU of 5mee by Molmil
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
5MEG
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BU of 5meg by Molmil
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
7ZB8
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BU of 7zb8 by Molmil
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
7ZB6
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BU of 7zb6 by Molmil
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
7ZB7
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BU of 7zb7 by Molmil
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
6HAF
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BU of 6haf by Molmil
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
6HA3
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BU of 6ha3 by Molmil
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
6HAD
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BU of 6had by Molmil
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
5LF4
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BU of 5lf4 by Molmil
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
5LF6
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BU of 5lf6 by Molmil
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
5LEY
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BU of 5ley by Molmil
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
5LF7
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BU of 5lf7 by Molmil
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
5LF0
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BU of 5lf0 by Molmil
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
5LE5
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BU of 5le5 by Molmil
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
5LEX
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BU of 5lex by Molmil
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
5LF3
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BU of 5lf3 by Molmil
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
5LF1
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BU of 5lf1 by Molmil
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
5LEZ
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BU of 5lez by Molmil
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
6RJC
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BU of 6rjc by Molmil
E.coli transketolase apoenzyme
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Rabe von Pappenheim, F, Tittmann, K.
Deposit date:2019-04-26
Release date:2019-09-11
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Low-barrier hydrogen bonds in enzyme cooperativity.
Nature, 573, 2019
6RJB
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BU of 6rjb by Molmil
Human transketolase variant T382E
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Rabe von Pappenheim, F, Tittmann, K.
Deposit date:2019-04-26
Release date:2019-09-11
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Low-barrier hydrogen bonds in enzyme cooperativity.
Nature, 573, 2019
7ODP
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BU of 7odp by Molmil
Neisseria gonorrhoeae transaldolase at 2.7 MGy dose
Descriptor: CITRIC ACID, Transaldolase
Authors:Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
Deposit date:2021-04-30
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Widespread occurrence of covalent lysine-cysteine redox switches in proteins.
Nat.Chem.Biol., 18, 2022
7ODQ
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BU of 7odq by Molmil
Neisseria gonorrhoeae transaldolase at 5.4 MGy dose
Descriptor: CITRIC ACID, Transaldolase
Authors:Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
Deposit date:2021-04-30
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Widespread occurrence of covalent lysine-cysteine redox switches in proteins.
Nat.Chem.Biol., 18, 2022
7ODO
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BU of 7odo by Molmil
Neisseria gonorrhoeae transaldolase at 0.27 MGy dose
Descriptor: CITRIC ACID, Transaldolase
Authors:Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
Deposit date:2021-04-30
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Widespread occurrence of covalent lysine-cysteine redox switches in proteins.
Nat.Chem.Biol., 18, 2022

 

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