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2WPU
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BU of 2wpu by Molmil
Chaperoned ruthenium metallodrugs that recognize telomeric DNA
分子名称: (3AS,4S,6AR)-4-(5-((3R,4R)-3,4-DIAMINOPYRROLIDIN-1-YL)-5-OXOPENTYL)TETRAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-2(3H)-ONE-P-CYMENE-CHLORO-RUTHENIUM(III), GLYCEROL, STREPTAVIDIN, ...
著者Heinisch, T, Schirmer, T, Zimbron, J.M, Sardo, A, Wohlschlager, T, Gradinaru, J, Creus, M, Ward, T.R.
登録日2009-08-10
公開日2010-10-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Chemo-Genetic Optimization of DNA Recognition by Metallodrugs Using a Presenter-Protein Strategy.
Chemistry, 16, 2010
2BC3
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BU of 2bc3 by Molmil
T7-tagged full-length streptavidin
分子名称: GLYCEROL, SULFATE ION, Streptavidin
著者Stenkamp, R.E, Le Trong, I, Ward, T.R, Humbert, N.
登録日2005-10-18
公開日2005-10-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystallographic Analysis of a Full-length Streptavidin with Its C-terminal Polypeptide Bound in the Biotin Binding Site.
J.Mol.Biol., 356, 2006
5BRV
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BU of 5brv by Molmil
Catalytic Improvement of an Artificial Metalloenzyme by Computational Design
分子名称: Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride
著者Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R.
登録日2015-06-01
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
7ALX
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BU of 7alx by Molmil
Sav-SOD: Chimeric Streptavidin-cSOD as Host for Artificial Metalloenzymes
分子名称: ((4S)-1,3-dimesityl-4-((5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold, Streptavidin,Superoxide dismutase [Cu-Zn],Streptavidin
著者Igareta, N.V, Christoffel, F, Peterson, R.L, Ward, T.R.
登録日2020-10-07
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and evolution of chimeric streptavidin for protein-enabled dual gold catalysis
Nat Catal, 4, 2021
7B74
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BU of 7b74 by Molmil
Chimeric Streptavidin With A Dimerization Domain For Artificial Transfer Hydrogenation
分子名称: Streptavidin,Superoxide dismutase [Cu-Zn],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Igareta, N.V, Ward, T.R.
登録日2020-12-09
公開日2021-11-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Spiers Memorial Lecture: Shielding the active site: a streptavidin superoxide-dismutase chimera as a host protein for asymmetric transfer hydrogenation.
Faraday Disc.Chem.Soc, 2023
8QQ3
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BU of 8qq3 by Molmil
Streptavidin with a Ni-cofactor
分子名称: 4-[4-[(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]butylamino]-~{N}1,~{N}1'-di(quinolin-8-yl)cyclohexane-1,1-dicarboxamide, NICKEL (II) ION, Streptavidin
著者Zhang, K, Jakob, R.P, Ward, T.R.
登録日2023-10-03
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An artificial nickel chlorinase based on the biotin-streptavidin technology.
Chem.Commun.(Camb.), 60, 2024
5K67
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BU of 5k67 by Molmil
Designed Artificial Cupredoxins
分子名称: GLYCEROL, Streptavidin, [CuII(biot-pr-dpea)]2+
著者Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
登録日2016-05-24
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Modular Artificial Cupredoxins.
J.Am.Chem.Soc., 138, 2016
5K68
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BU of 5k68 by Molmil
Designed Artificial Cupredoxins
分子名称: Streptavidin, [CuII(biot-bu-dpea)]2+
著者Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
登録日2016-05-24
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Modular Artificial Cupredoxins.
J.Am.Chem.Soc., 138, 2016
5L3Y
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BU of 5l3y by Molmil
Designed Artificial Cupredoxins
分子名称: Streptavidin, [CuII(biot-et-dpea)]2+
著者Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
登録日2016-05-24
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Modular Artificial Cupredoxins.
J.Am.Chem.Soc., 138, 2016
6UIU
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BU of 6uiu by Molmil
Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases
分子名称: N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide, Streptavidin
著者Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S.
登録日2019-10-01
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
6UIZ
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BU of 6uiz by Molmil
Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases
分子名称: ACETATE ION, Streptavidin, {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(triaza-1,2-dien-2-ium-1-ide-kappaN~1~)iron(4+)
著者Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S.
登録日2019-10-01
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
6UI0
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BU of 6ui0 by Molmil
Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases
分子名称: ACETATE ION, Streptavidin, {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)
著者Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S.
登録日2019-09-29
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
6US6
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BU of 6us6 by Molmil
Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases
分子名称: ACETATE ION, Streptavidin, {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)
著者Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S.
登録日2019-10-24
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
6ANX
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BU of 6anx by Molmil
Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - WT (low exposure)
分子名称: ACETATE ION, SULFATE ION, Streptavidin, ...
著者Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S.
登録日2017-08-14
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins.
J. Am. Chem. Soc., 139, 2017
5BRW
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BU of 5brw by Molmil
Catalytic Improvement of an Artificial Metalloenzyme by Computational Design
分子名称: ACETATE ION, Carbonic anhydrase 2, SULFATE ION, ...
著者Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R.
登録日2015-06-01
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
5BRU
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BU of 5bru by Molmil
Catalytic Improvement of an Artificial Metalloenzyme by Computational Design
分子名称: Carbonic anhydrase 2, SULFATE ION, ZINC ION, ...
著者Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R.
登録日2015-06-01
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
5CSE
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BU of 5cse by Molmil
Streptavidin-S112Y-K121E Complexed with Palladium-Containing Biotin Ligand
分子名称: CHLORIDE ION, Streptavidin, chloro{di-tert-butyl[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-lambda~5~-phosphanyl}(1-phenylprop-1-ene-1,3-diyl-kappa~2~C~1~,C~3~)palladium
著者Finke, A.D, Vera, L, Marsh, M, Chatterjee, A, Ward, T.R.
登録日2015-07-23
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献An enantioselective artificial Suzukiase based on the biotin-streptavidin technology.
Chem Sci, 7, 2016
5F2B
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BU of 5f2b by Molmil
Expanding Nature's Catalytic Repertoire -Directed Evolution of an Artificial Metalloenzyme for In Vivo Metathesis
分子名称: SULFATE ION, Streptavidin, [1-[4-[[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]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium
著者Heinisch, T, Jeschek, M, Reuter, R, Trindler, C, Panke, S, Ward, T.R.
登録日2015-12-01
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Directed evolution of artificial metalloenzymes for in vivo metathesis.
Nature, 537, 2016
5VL8
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BU of 5vl8 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, Ward, T.R, Borovik, A.S.
登録日2017-04-25
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Coordination chemistry within a protein host: regulation of the secondary coordination sphere.
Chem. Commun. (Camb.), 54, 2018
5VL5
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BU of 5vl5 by Molmil
Coordination Chemistry within a Protein Host: Regulation of the Secondary Coordination Sphere
分子名称: COPPER (II) ION, Streptavidin, [N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper
著者Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S.
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 (1.46 Å)
主引用文献Coordination chemistry within a protein host: regulation of the secondary coordination sphere.
Chem. Commun. (Camb.), 54, 2018
5WBB
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BU of 5wbb by Molmil
Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - S112A
分子名称: COPPER (II) ION, GLYCEROL, SULFATE ION, ...
著者Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S.
登録日2017-06-28
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins.
J. Am. Chem. Soc., 139, 2017
5WBA
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BU of 5wba by Molmil
Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - WT
分子名称: ACETATE ION, COPPER (II) ION, SULFATE ION, ...
著者Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S.
登録日2017-06-28
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins.
J. Am. Chem. Soc., 139, 2017
5WBC
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BU of 5wbc by Molmil
Designed Artificial Cupredoxins - WT
分子名称: ACETATE ION, GLYCEROL, Streptavidin, ...
著者Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
登録日2017-06-28
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Modular Artificial Cupredoxins.
J. Am. Chem. Soc., 138, 2016
5WBD
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BU of 5wbd by Molmil
Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - N49A
分子名称: ACETATE ION, Streptavidin, [N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper
著者Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S.
登録日2017-06-28
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins.
J. Am. Chem. Soc., 139, 2017
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

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