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4TM7
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BU of 4tm7 by Molmil
Crystal structure of 6-phosphogluconolactonase from Mycobacterium smegmatis N131D mutant soaked with CuSO4
分子名称: 1,2-ETHANEDIOL, 6-phosphogluconolactonase, CHLORIDE ION, ...
著者Fujieda, N, Stuttfeld, E, Maier, T.
登録日2014-05-31
公開日2015-06-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Enzyme repurposing of a hydrolase as an emergent peroxidase upon metal binding.
Chem Sci, 6, 2015
7OND
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BU of 7ond by Molmil
HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye
分子名称: 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline, CHLORIDE ION, Haloalkane dehalogenase, ...
著者Stein, A, Liang, A.D.
登録日2021-05-25
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Chembiochem, 22, 2021
7OO4
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HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye
分子名称: 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline, CHLORIDE ION, Haloalkane dehalogenase
著者Stein, A, Liang, A.D.
登録日2021-05-26
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Chembiochem, 22, 2021
3ZP9
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BU of 3zp9 by Molmil
Human Carbonic Anhydrase II as a Scaffold for an Artificial Transfer Hydrogenase
分子名称: CARBONIC ANHYDRASE 2, GLYCEROL, MERCURIBENZOIC ACID, ...
著者Heinisch, T, Schirmer, T.
登録日2013-02-27
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Human Carbonic Anhydrase II as Host Protein for the Creation of Artificial Metalloenzymes: The Asymmetric Transfer Hydrogenation of Imines
Chem.Sci., 4, 2013
8P5Y
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BU of 8p5y by Molmil
Artificial transfer hydrogenase with a Mn-12 cofactor and Streptavidin S112Y-K121M mutant
分子名称: 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)ethyl]pentanamide, BROMIDE ION, CHLORIDE ION, ...
著者Lau, K, Wang, W, Pojer, F, Larabi, A.
登録日2023-05-24
公開日2023-09-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Manganese Transfer Hydrogenases Based on the Biotin-Streptavidin Technology.
Angew.Chem.Int.Ed.Engl., 62, 2023
8P5Z
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BU of 8p5z by Molmil
Artificial transfer hydrogenase with a Mn-5 cofactor and Streptavidin S112Y-K121M mutant
分子名称: 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[(5-methylpyridin-2-yl)methylamino]ethyl]pentanamide, BROMIDE ION, GLYCEROL, ...
著者Lau, K, Wang, W, Pojer, F, Larabi, A.
登録日2023-05-24
公開日2023-09-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Manganese Transfer Hydrogenases Based on the Biotin-Streptavidin Technology.
Angew.Chem.Int.Ed.Engl., 62, 2023
6GMI
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BU of 6gmi by Molmil
Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in E. coli's Periplasm.
分子名称: IRIDIUM (III) ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
著者Rebelein, J.G.
登録日2018-05-26
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in Escherichia coli's Periplasm.
J. Am. Chem. Soc., 140, 2018
5VKX
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BU of 5vkx by Molmil
Coordination Chemistry within a Protein Host: Regulation of the Secondary Coordination Sphere
分子名称: COPPER (II) ION, GLYCEROL, Streptavidin, ...
著者Mann, S.I, Heinisch, T.
登録日2017-04-24
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Coordination chemistry within a protein host: regulation of the secondary coordination sphere.
Chem. Commun. (Camb.), 54, 2018
6S4Q
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BU of 6s4q by Molmil
scdSav(SASK) - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes
分子名称: GLYCEROL, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
著者Rebelein, J.G.
登録日2019-06-28
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Breaking Symmetry: Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes.
J.Am.Chem.Soc., 141, 2019
6S50
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BU of 6s50 by Molmil
scdSav(SARK)mv2 - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes
分子名称: GLYCEROL, SULFATE ION, Streptavidin, ...
著者Rebelein, J.G.
登録日2019-06-29
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Breaking Symmetry: Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes.
J.Am.Chem.Soc., 141, 2019
4GJV
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BU of 4gjv by Molmil
Streptavidin-S112H
分子名称: CHLORIDE ION, Rhodium, Streptavidin, ...
著者Heinisch, T, Schirmer, T.
登録日2012-08-10
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A dual anchoring strategy for the localization and activation of artificial metalloenzymes based on the biotin-streptavidin technology.
J.Am.Chem.Soc., 135, 2013
4GJS
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BU of 4gjs by Molmil
Streptavidin-K121H
分子名称: Rhodium, Streptavidin, trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+)
著者Heinisch, T, Schirmer, T.
登録日2012-08-10
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A dual anchoring strategy for the localization and activation of artificial metalloenzymes based on the biotin-streptavidin technology.
J.Am.Chem.Soc., 135, 2013
3PYK
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BU of 3pyk by Molmil
Human Carbonic Anhydrase II as Host for Pianostool Complexes Bearing a Sulfonamide Anchor
分子名称: Carbonic anhydrase 2, METHYL MERCURY ION, SULFATE ION, ...
著者Heinisch, T, Schirmer, T.
登録日2010-12-13
公開日2011-07-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Human Carbonic Anhydrase II as a host for piano-stool complexes bearing a sulfonamide anchor.
Chem.Commun.(Camb.), 47, 2011
3PK2
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BU of 3pk2 by Molmil
Artificial Transfer Hydrogenases for the Enantioselective Reduction of Cyclic Imines
分子名称: IRIDIUM (III) ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
著者Schirmer, T, Heinisch, T.
登録日2010-11-11
公開日2011-04-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Artificial transfer hydrogenases for the enantioselective reduction of cyclic imines.
Angew.Chem.Int.Ed.Engl., 50, 2011
5KDH
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BU of 5kdh by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A DIHYDROPYRIDOPYRIMIDINE SCAFFOLD INHIBITOR
分子名称: (5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2016-06-08
公開日2017-08-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献BET Bromodomain Inhibitors with One-Step Synthesis Discovered from Virtual Screen.
J. Med. Chem., 60, 2017
4O37
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BU of 4o37 by Molmil
seminsynthetic RNase S1-15-3Pl-7/11
分子名称: CHLORIDE ION, Ribonuclease pancreatic, S-peptide, ...
著者Genz, M, Strater, N.
登録日2013-12-18
公開日2014-05-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Artificial Imine Reductase based on the Ribonuclease S Scaffold
Chem.Cat.Chem, 2014
4O36
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BU of 4o36 by Molmil
Semisynthetic RNase S1-15-H7/11-Q10
分子名称: CHLORIDE ION, Ribonuclease pancreatic, S-peptide, ...
著者Genz, M, Strater, N.
登録日2013-12-18
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献An Artificial Imine Reductase based on the Ribonuclease S scaffold
Chem.Cat.Chem, 2014
4OKA
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BU of 4oka by Molmil
Structural-, Kinetic- and Docking Studies of Artificial Imine Reductases Based on the Biotin-Streptavidin Technology: An Induced Lock-and-Key Hypothesis
分子名称: IRIDIUM ION, Streptavidin, [N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamidato]iridium(III)
著者Schirmer, T, Heinisch, T.
登録日2014-01-22
公開日2014-11-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.505 Å)
主引用文献Structural, Kinetic, and Docking Studies of Artificial Imine Reductases Based on Biotin-Streptavidin Technology: An Induced Lock-and-Key Hypothesis
J.Am.Chem.Soc., 136, 2014
6QFV
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Human carbonic anhydrase II with bound IrCp* complex (cofactor 8) to generate an artificial transfer hydrogenase (ATHase)
分子名称: 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, SULFATE ION, ...
著者Rebelein, J.G.
登録日2019-01-10
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein.
Acs Catalysis, 9, 2019
6QFW
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Human carbonic anhydrase II with bound IrCp* complex (cofactor 9) to generate an artificial transfer hydrogenase (ATHase)
分子名称: 4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide, Carbonic anhydrase 2, IRIDIUM ION, ...
著者Rebelein, J.G.
登録日2019-01-10
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein.
Acs Catalysis, 9, 2019
6QFU
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Human carbonic anhydrase II with bound IrCp* complex (cofactor 7) to generate an artificial transfer hydrogenase (ATHase)
分子名称: 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, SULFATE ION, ...
著者Rebelein, J.G.
登録日2019-01-10
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein.
Acs Catalysis, 9, 2019
6QFX
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Human carbonic anhydrase II with bound IrCp* complex (cofactor 10) to generate an artificial transfer hydrogenase (ATHase)
分子名称: 2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, SULFATE ION, ...
著者Rebelein, J.G.
登録日2019-01-10
公開日2019-04-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein.
Acs Catalysis, 9, 2019
7ZX9
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Streptavidin with a fluorescent substrate
分子名称: 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide, Streptavidin
著者Igareta, N.V, Ward, T.R.
登録日2022-05-20
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.546 Å)
主引用文献Streptavidin Iron-Porphyrin
To Be Published
7ZOF
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Streptavidin Iron-Porphyrin
分子名称: (2R)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-[[(5Z,10Z,14Z,19Z)-15-[[[(2R)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-sulfo-propanoyl]amino]methyl]-1,4,21,23-tetrahydroporphyrin-5-yl]methylamino]-3-oxidanylidene-propane-1-sulfonic acid, FE (III) ION, IMIDAZOLE, ...
著者Igareta, N.V, Ward, T.R.
登録日2022-04-25
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Streptavidin Iron-Porphyrin
To Be Published
8OJX
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Streptavidin S112YK121E artificial metalloenzyme for carboamination
分子名称: IRIDIUM ION, Streptavidin, trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+)
著者Igareta, N.V, Ward, T.R.
登録日2023-03-25
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Streptavidin WT artificial metalloenzyme for carboamination
To Be Published

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件を2024-05-29に公開中

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