5MED
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![BU of 5med by Molmil](/molmil-images/mine/5med) | Cyanothece lipoxygenase 2 (CspLOX2) | 分子名称: | 1,3-PROPANDIOL, 1,4-BUTANEDIOL, 1-BUTANOL, ... | 著者 | Newie, J, Neumann, P, Werner, M, Mata, R.A, Ficner, R, Feussner, I. | 登録日 | 2016-11-14 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation. Sci Rep, 7, 2017
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5MEF
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![BU of 5mef by Molmil](/molmil-images/mine/5mef) | Cyanothece lipoxygenase 2 (CspLOX2) variant - L304F | 分子名称: | Arachidonate 15-lipoxygenase, CHLORIDE ION, FE (III) ION, ... | 著者 | Newie, J, Neumann, P, Werner, M, Mata, R.A, Ficner, R, Feussner, I. | 登録日 | 2016-11-14 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.357 Å) | 主引用文献 | Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation. Sci Rep, 7, 2017
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5MEE
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![BU of 5mee by Molmil](/molmil-images/mine/5mee) | Cyanothece lipoxygenase 2 (CspLOX2) variant - L304V | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Arachidonate 15-lipoxygenase, FE (III) ION, ... | 著者 | Newie, J, Neumann, P, Werner, M, Mata, R.A, Ficner, R, Feussner, I. | 登録日 | 2016-11-14 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation. Sci Rep, 7, 2017
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5MEG
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![BU of 5meg by Molmil](/molmil-images/mine/5meg) | Manganese-substituted Cyanothece lipoxygenase 2 (Mn-CspLOX2) | 分子名称: | Arachidonate 15-lipoxygenase, CHLORIDE ION, ETHANOL, ... | 著者 | Newie, J, Neumann, P, Werner, M, Mata, R.A, Ficner, R, Feussner, I. | 登録日 | 2016-11-14 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation. Sci Rep, 7, 2017
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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 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL | 著者 | Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A. | 登録日 | 2022-03-23 | 公開日 | 2022-06-01 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | 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 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | 著者 | Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A. | 登録日 | 2022-03-23 | 公開日 | 2022-06-01 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | 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 | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | 著者 | Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A. | 登録日 | 2022-03-23 | 公開日 | 2022-06-01 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | 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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5LF6
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![BU of 5lf6 by Molmil](/molmil-images/mine/5lf6) | Human 20S proteasome complex with Z-LLY-ketoaldehyde at 2.1 Angstrom | 分子名称: | CHLORIDE ION, LLY-ketoaldehyde peptide, MAGNESIUM ION, ... | 著者 | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | 登録日 | 2016-06-30 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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5LEY
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![BU of 5ley by Molmil](/molmil-images/mine/5ley) | Human 20S proteasome complex with Oprozomib at 1.9 Angstrom | 分子名称: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | 著者 | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | 登録日 | 2016-06-30 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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5LF7
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![BU of 5lf7 by Molmil](/molmil-images/mine/5lf7) | Human 20S proteasome complex with Ixazomib at 2.0 Angstrom | 分子名称: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | 著者 | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | 登録日 | 2016-06-30 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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5LF0
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![BU of 5lf0 by Molmil](/molmil-images/mine/5lf0) | Human 20S proteasome complex with Epoxomicin at 2.4 Angstrom | 分子名称: | CHLORIDE ION, EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, ... | 著者 | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | 登録日 | 2016-06-30 | 公開日 | 2016-08-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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5LEX
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![BU of 5lex by Molmil](/molmil-images/mine/5lex) | Native human 20S proteasome in Mg-Acetate at 2.2 Angstrom | 分子名称: | MAGNESIUM ION, PENTAETHYLENE GLYCOL, POTASSIUM ION, ... | 著者 | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | 登録日 | 2016-06-30 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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5LE5
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![BU of 5le5 by Molmil](/molmil-images/mine/5le5) | Native human 20S proteasome at 1.8 Angstrom | 分子名称: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | 著者 | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | 登録日 | 2016-06-29 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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5LF3
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![BU of 5lf3 by Molmil](/molmil-images/mine/5lf3) | Human 20S proteasome complex with Bortezomib at 2.1 Angstrom | 分子名称: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | 著者 | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | 登録日 | 2016-06-30 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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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) | |
7ODP
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![BU of 7odp by Molmil](/molmil-images/mine/7odp) | |
7OEY
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![BU of 7oey by Molmil](/molmil-images/mine/7oey) | Neisseria gonnorhoeae variant E93Q at 1.35 angstrom resolution | 分子名称: | GLYCEROL, SODIUM ION, SUCCINIC ACID, ... | 著者 | Rabe von Pappenheim, F, Wensien, M, Tittmann, K. | 登録日 | 2021-05-04 | 公開日 | 2022-02-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Widespread occurrence of covalent lysine-cysteine redox switches in proteins. Nat.Chem.Biol., 18, 2022
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5LF1
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![BU of 5lf1 by Molmil](/molmil-images/mine/5lf1) | Human 20S proteasome complex with Dihydroeponemycin at 2.0 Angstrom | 分子名称: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | 著者 | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | 登録日 | 2016-06-30 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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5LEZ
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![BU of 5lez by Molmil](/molmil-images/mine/5lez) | Human 20S proteasome complex with Oprozomib in Mg-Acetate at 2.2 Angstrom | 分子名称: | ACETATE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | 著者 | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | 登録日 | 2016-06-30 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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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 | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... | 著者 | Funk, L.M, Sautner, V, Tittmann, K. | 登録日 | 2018-08-07 | 公開日 | 2019-08-21 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Low-barrier hydrogen bonds in enzyme cooperativity. Nature, 573, 2019
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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 | 分子名称: | 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, ... | 著者 | Dai, S, Sautner, V, Tittmann, K. | 登録日 | 2018-08-07 | 公開日 | 2019-08-21 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | 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 | 分子名称: | CALCIUM ION, MAGNESIUM ION, SODIUM ION, ... | 著者 | Dai, S, Sautner, V, Tittmann, K. | 登録日 | 2018-08-07 | 公開日 | 2019-08-21 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | Low-barrier hydrogen bonds in enzyme cooperativity. Nature, 573, 2019
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5LF4
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![BU of 5lf4 by Molmil](/molmil-images/mine/5lf4) | Human 20S proteasome complex with Delanzomib at 2.0 Angstrom | 分子名称: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | 著者 | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | 登録日 | 2016-06-30 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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7OQM
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![BU of 7oqm by Molmil](/molmil-images/mine/7oqm) | Human OMPD-domain of UMPS in complex with substrate OMP at 1.05 Angstroms resolution, 20 minutes soaking | 分子名称: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | 著者 | Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K. | 登録日 | 2021-06-03 | 公開日 | 2022-04-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | 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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