2AGX
 
 | | Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. P212121 form | | 分子名称: | 2-(1H-INDOL-3-YL)ETHANIMINE, Aromatic amine dehydrogenase | | 著者 | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | | 登録日 | 2005-07-27 | | 公開日 | 2006-04-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
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2AGW
 | | Crystal structure of tryptamine-reduced aromatic amine dehydrogenase (AADH) from Alcaligenes faecalis in complex with tryptamine | | 分子名称: | 2-(1H-INDOL-3-YL)ETHANAMINE, Aromatic amine dehydrogenase | | 著者 | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | | 登録日 | 2005-07-27 | | 公開日 | 2006-04-25 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
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2AH0
 | | Crystal structure of the carbinolamine intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. Monoclinic form | | 分子名称: | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL, 2-(1H-INDOL-3-YL)ETHANIMINE, Aromatic amine dehydrogenase | | 著者 | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | | 登録日 | 2005-07-27 | | 公開日 | 2006-04-25 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
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2AGL
 | | Crystal structure of the phenylhydrazine adduct of aromatic amine dehydrogenase from Alcaligenes faecalis | | 分子名称: | 1-PHENYLHYDRAZINE, Aromatic amine dehydrogenase | | 著者 | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | | 登録日 | 2005-07-27 | | 公開日 | 2006-04-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
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2AGY
 | | Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. Monoclinic form | | 分子名称: | 2-(1H-INDOL-3-YL)ETHANIMINE, Aromatic amine dehydrogenase | | 著者 | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | | 登録日 | 2005-07-27 | | 公開日 | 2006-04-25 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
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2AH1
 | | Crystal structure of aromatic amine dehydrogenase (AADH) from Alcaligenes faecalis | | 分子名称: | Aromatic amine dehydrogenase | | 著者 | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | | 登録日 | 2005-07-27 | | 公開日 | 2006-04-25 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
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2AGZ
 | | Crystal structure of the carbinolamine intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. F222 form | | 分子名称: | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL, Aromatic amine dehydrogenase, ZINC ION | | 著者 | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | | 登録日 | 2005-07-27 | | 公開日 | 2006-04-25 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
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7O0O
 | | Crystal structure of the B3 metallo-beta-lactamase L1 with hydrolysed ertapenem | | 分子名称: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | | 著者 | Hinchliffe, P, Spencer, J. | | 登録日 | 2021-03-26 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Crystallography and QM/MM Simulations Identify Preferential Binding of Hydrolyzed Carbapenem and Penem Antibiotics to the L1 Metallo-beta-Lactamase in the Imine Form.
J.Chem.Inf.Model., 61, 2021
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7AH0
 | | Crystal structure of the de novo designed two-heme binding protein, 4D2 | | 分子名称: | 4D2, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hutchins, G.H, Parnell, A.E, Anderson, J.L.R. | | 登録日 | 2020-09-23 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | An expandable, modular de novo protein platform for precision redox engineering.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6XV4
 | | Neutron structure of ferric ascorbate peroxidase-ascorbate complex | | 分子名称: | ASCORBIC ACID, Ascorbate peroxidase, POTASSIUM ION, ... | | 著者 | Kwon, H, Basran, J, Devos, J.M, Schrader, T.E, Ostermann, A, Blakeley, M.P, Raven, E.L, Moody, P.C.E. | | 登録日 | 2020-01-21 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | | 主引用文献 | Visualizing the protons in a metalloenzyme electron proton transfer pathway.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5WCZ
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8PEC
 | | OXA-48_Q5-CAZ. Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution | | 分子名称: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase, CHLORIDE ION | | 著者 | Leiros, H.-K.S, Frohlich, C. | | 登録日 | 2023-06-13 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Epistasis arises from shifting the rate-limiting step during enzyme evolution of a beta-lactamase.
Nat Catal, 7, 2024
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8PEB
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8PEA
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2IAA
 | | Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dephydrogenase and Azurin from Alcaligenes Faecalis (Form 2) | | 分子名称: | Aromatic Amine Dehydrogenase, Azurin, COPPER (II) ION | | 著者 | Sukumar, N, Chen, Z, Leys, D, Scrutton, N.S, Ferrati, D, Merli, A, Rossi, G.L, Bellamy, H.D, Chistoserdov, A, Davidson, V.L, Mathews, F.S. | | 登録日 | 2006-09-07 | | 公開日 | 2006-11-21 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal Structure of an Electron Transfer Complex between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes faecalis.
Biochemistry, 45, 2006
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7ODL
 | | SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C1 symmetry | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | | 著者 | Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I. | | 登録日 | 2021-04-29 | | 公開日 | 2022-01-26 | | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | | 主引用文献 | Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
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7OD3
 | | SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C3 symmetry | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | | 著者 | Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I. | | 登録日 | 2021-04-28 | | 公開日 | 2022-01-26 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
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5NX6
 | | Crystal structure of 1,8-cineole synthase from Streptomyces clavuligerus in complex with 2-fluoroneryl diphosphate | | 分子名称: | (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, ... | | 著者 | Karuppiah, V, Leys, D, Scrutton, N.S. | | 登録日 | 2017-05-09 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
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5OG9
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5NX7
 | | Crystal structure of 1,8-cineole synthase from Streptomyces clavuligerus in complex with 2-fluoroneryl diphosphate and 2-fluorogeranyl diphosphate | | 分子名称: | (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, ... | | 著者 | Karuppiah, V, Leys, D, Scrutton, N.S. | | 登録日 | 2017-05-09 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
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5NX4
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5NX5
 | | Crystal structure of Linalool/Nerolidol synthase from Streptomyces clavuligerus in complex with 2-fluorogeranyl diphosphate | | 分子名称: | (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, CHLORIDE ION, GLYCEROL, ... | | 著者 | Karuppiah, V, Leys, D, Scrutton, N.S. | | 登録日 | 2017-05-09 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
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6NW4
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6EIK
 | | A de novo designed heptameric coiled coil CC-Hept-I24E | | 分子名称: | CC-Hept-I24E, FORMIC ACID, GLYCEROL | | 著者 | Rhys, G.G, Burton, A.J, Dawson, W.M, Thomas, F, Woolfson, D.N. | | 登録日 | 2017-09-19 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | De Novo-Designed alpha-Helical Barrels as Receptors for Small Molecules.
ACS Synth Biol, 7, 2018
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6EIZ
 | | A de novo designed hexameric coiled coil CC-Hex2 with farnesol bound in the channel. | | 分子名称: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, CC-Hex2 | | 著者 | Rhys, G.G, Burton, A.J, Dawson, W.M, Thomas, F, Woolfson, D.N. | | 登録日 | 2017-09-19 | | 公開日 | 2018-07-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | De Novo-Designed alpha-Helical Barrels as Receptors for Small Molecules.
ACS Synth Biol, 7, 2018
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