6HAF
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![BU of 6haf by Molmil](/molmil-images/mine/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: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Low-barrier hydrogen bonds in enzyme cooperativity. Nature, 573, 2019
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6YJY
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![BU of 6yjy by Molmil](/molmil-images/mine/6yjy) | Crystal structure of human glutaminyl cyclase in complex with neurotensin 1-5 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTAMINE, Glutaminyl-peptide cyclotransferase, ... | Authors: | Funk, L.M, Sautner, V, Tittmann, K. | Deposit date: | 2020-04-05 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Hydrazides Are Potent Transition-State Analogues for Glutaminyl Cyclase Implicated in the Pathogenesis of Alzheimer's Disease. Biochemistry, 59, 2020
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7BBX
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![BU of 7bbx by Molmil](/molmil-images/mine/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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7ZB7
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![BU of 7zb7 by Molmil](/molmil-images/mine/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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7ZB6
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![BU of 7zb6 by Molmil](/molmil-images/mine/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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7ZB8
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![BU of 7zb8 by Molmil](/molmil-images/mine/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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6RJC
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![BU of 6rjc by Molmil](/molmil-images/mine/6rjc) | |
6HA3
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![BU of 6ha3 by Molmil](/molmil-images/mine/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: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Low-barrier hydrogen bonds in enzyme cooperativity. Nature, 573, 2019
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6HAD
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![BU of 6had by Molmil](/molmil-images/mine/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: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Low-barrier hydrogen bonds in enzyme cooperativity. Nature, 573, 2019
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6RJB
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![BU of 6rjb by Molmil](/molmil-images/mine/6rjb) | |
7ODP
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![BU of 7odp by Molmil](/molmil-images/mine/7odp) | |
7ODO
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![BU of 7odo by Molmil](/molmil-images/mine/7odo) | |
7ODQ
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![BU of 7odq by Molmil](/molmil-images/mine/7odq) | |
7OEY
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![BU of 7oey by Molmil](/molmil-images/mine/7oey) | Neisseria gonnorhoeae variant E93Q at 1.35 angstrom resolution | Descriptor: | GLYCEROL, SODIUM ION, SUCCINIC ACID, ... | Authors: | Rabe von Pappenheim, F, Wensien, M, Tittmann, K. | Deposit date: | 2021-05-04 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Widespread occurrence of covalent lysine-cysteine redox switches in proteins. Nat.Chem.Biol., 18, 2022
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4ZP1
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![BU of 4zp1 by Molmil](/molmil-images/mine/4zp1) | Crystal structure of Zymomonas mobilis pyruvate decarboxylase variant Glu473Ala | Descriptor: | GLYCEROL, MAGNESIUM ION, NICKEL (II) ION, ... | Authors: | Wechsler, C, Neumann, P, Tittmann, K. | Deposit date: | 2015-05-07 | Release date: | 2015-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.205 Å) | Cite: | Tuning and Switching Enantioselectivity of Asymmetric Carboligation in an Enzyme through Mutational Analysis of a Single Hot Spot. Chembiochem, 16, 2015
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6ZWF
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![BU of 6zwf by Molmil](/molmil-images/mine/6zwf) | Neisseria gonorrhoeae transaldolase | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, CITRIC ACID, ... | Authors: | Rabe von Pappenheim, F, Wensien, M, Funk, L.-M, Sautner, V, Tittmann, K. | Deposit date: | 2020-07-28 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | A lysine-cysteine redox switch with an NOS bridge regulates enzyme function. Nature, 593, 2021
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6ZWH
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![BU of 6zwh by Molmil](/molmil-images/mine/6zwh) | Neisseria gonorrhoeae transaldolase at 1.5 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... | Authors: | Rabe von Pappenheim, F, Wensien, M, Funk, L.-M, Sautner, V, Tittmann, K. | Deposit date: | 2020-07-28 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A lysine-cysteine redox switch with an NOS bridge regulates enzyme function. Nature, 593, 2021
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6YI1
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![BU of 6yi1 by Molmil](/molmil-images/mine/6yi1) | Crystal structure of human glutaminyl cyclase in complex with Glu(gamma-hydrazide)-Phe-Ala | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kupski, O, Sautner, V, Tittmann, K. | Deposit date: | 2020-03-31 | Release date: | 2020-07-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Hydrazides Are Potent Transition-State Analogues for Glutaminyl Cyclase Implicated in the Pathogenesis of Alzheimer's Disease. Biochemistry, 59, 2020
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6YR3
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![BU of 6yr3 by Molmil](/molmil-images/mine/6yr3) | |
6YRH
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![BU of 6yrh by Molmil](/molmil-images/mine/6yrh) | |
6YRT
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![BU of 6yrt by Molmil](/molmil-images/mine/6yrt) | |
6YS0
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![BU of 6ys0 by Molmil](/molmil-images/mine/6ys0) | |
6YRE
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![BU of 6yre by Molmil](/molmil-images/mine/6yre) | Transaldolase variant T30C/D211C from T. acidophilum | Descriptor: | ACETATE ION, GLYCEROL, Probable transaldolase | Authors: | Sautner, V, Lietzow, T.H, Tittmann, K. | Deposit date: | 2020-04-20 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Large-scale motions underlie physical but not chemical steps in transaldolase mechanism: Substrate binding by conformational selection and rate-determining product release To Be Published
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6YRM
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![BU of 6yrm by Molmil](/molmil-images/mine/6yrm) | |
6ZWJ
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![BU of 6zwj by Molmil](/molmil-images/mine/6zwj) | Neisseria gonorrhoeae transaldolase at 1.35 Angstrom resolution | Descriptor: | CITRIC ACID, GLYCEROL, Transaldolase | Authors: | Rabe von Pappenheim, F, Wensien, M, Sautner, V, Tittmann, K. | Deposit date: | 2020-07-28 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A lysine-cysteine redox switch with an NOS bridge regulates enzyme function. Nature, 593, 2021
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