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6FH8
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BU of 6fh8 by Molmil
E. coli surface display of streptavidin for directed evolution of an allylic deallocase
Descriptor: Streptavidin, biotinylated ruthenium cyclopentadienide
Authors:Heinisch, T, Schwizer, F, Garabedian, B, Csibra, E, Jeschek, M, Pinheiro Bernhardes, V, Marliere, P, Panke, S, Ward, T.R.
Deposit date:2018-01-12
Release date:2018-08-22
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:E. colisurface display of streptavidin for directed evolution of an allylic deallylase.
Chem Sci, 9, 2018
5BRV
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BU of 5brv by Molmil
Catalytic Improvement of an Artificial Metalloenzyme by Computational Design
Descriptor: Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride
Authors:Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R.
Deposit date:2015-06-01
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
5BRW
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BU of 5brw by Molmil
Catalytic Improvement of an Artificial Metalloenzyme by Computational Design
Descriptor: ACETATE ION, Carbonic anhydrase 2, SULFATE ION, ...
Authors:Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R.
Deposit date:2015-06-01
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: Carbonic anhydrase 2, SULFATE ION, ZINC ION, ...
Authors:Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R.
Deposit date:2015-06-01
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
3ZP9
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BU of 3zp9 by Molmil
Human Carbonic Anhydrase II as a Scaffold for an Artificial Transfer Hydrogenase
Descriptor: CARBONIC ANHYDRASE 2, GLYCEROL, MERCURIBENZOIC ACID, ...
Authors:Heinisch, T, Schirmer, T.
Deposit date:2013-02-27
Release date:2013-10-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Human Carbonic Anhydrase II as Host Protein for the Creation of Artificial Metalloenzymes: The Asymmetric Transfer Hydrogenation of Imines
Chem.Sci., 4, 2013
2WPU
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BU of 2wpu by Molmil
Chaperoned ruthenium metallodrugs that recognize telomeric DNA
Descriptor: (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, ...
Authors:Heinisch, T, Schirmer, T, Zimbron, J.M, Sardo, A, Wohlschlager, T, Gradinaru, J, Creus, M, Ward, T.R.
Deposit date:2009-08-10
Release date:2010-10-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Chemo-Genetic Optimization of DNA Recognition by Metallodrugs Using a Presenter-Protein Strategy.
Chemistry, 16, 2010
4GJV
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BU of 4gjv by Molmil
Streptavidin-S112H
Descriptor: CHLORIDE ION, Rhodium, Streptavidin, ...
Authors:Heinisch, T, Schirmer, T.
Deposit date:2012-08-10
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 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+)
Authors:Heinisch, T, Schirmer, T.
Deposit date:2012-08-10
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: Carbonic anhydrase 2, METHYL MERCURY ION, SULFATE ION, ...
Authors:Heinisch, T, Schirmer, T.
Deposit date:2010-12-13
Release date:2011-07-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Human Carbonic Anhydrase II as a host for piano-stool complexes bearing a sulfonamide anchor.
Chem.Commun.(Camb.), 47, 2011
5IRA
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BU of 5ira by Molmil
Expanding Nature's Catalytic Repertoire -Directed Evolution of an Artificial Metalloenzyme for In Vivo Metathesis
Descriptor: Artificial Metathesase, [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
Authors:Heinisch, T, Jeschek, M, Reuter, R, Trindler, C, Panke, S, Ward, T.R.
Deposit date:2016-03-12
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Directed evolution of artificial metalloenzymes for in vivo metathesis.
Nature, 537, 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
Descriptor: 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
Authors:Heinisch, T, Jeschek, M, Reuter, R, Trindler, C, Panke, S, Ward, T.R.
Deposit date:2015-12-01
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Directed evolution of artificial metalloenzymes for in vivo metathesis.
Nature, 537, 2016
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
Descriptor: 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)
Authors:Schirmer, T, Heinisch, T.
Deposit date:2014-01-22
Release date:2014-11-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.505 Å)
Cite: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
3PK2
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BU of 3pk2 by Molmil
Artificial Transfer Hydrogenases for the Enantioselective Reduction of Cyclic Imines
Descriptor: 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)
Authors:Schirmer, T, Heinisch, T.
Deposit date:2010-11-11
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Artificial transfer hydrogenases for the enantioselective reduction of cyclic imines.
Angew.Chem.Int.Ed.Engl., 50, 2011
5K68
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BU of 5k68 by Molmil
Designed Artificial Cupredoxins
Descriptor: Streptavidin, [CuII(biot-bu-dpea)]2+
Authors:Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
Deposit date:2016-05-24
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Modular Artificial Cupredoxins.
J.Am.Chem.Soc., 138, 2016
5L3Y
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BU of 5l3y by Molmil
Designed Artificial Cupredoxins
Descriptor: Streptavidin, [CuII(biot-et-dpea)]2+
Authors:Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
Deposit date:2016-05-24
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Modular Artificial Cupredoxins.
J.Am.Chem.Soc., 138, 2016
5K67
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BU of 5k67 by Molmil
Designed Artificial Cupredoxins
Descriptor: GLYCEROL, Streptavidin, [CuII(biot-pr-dpea)]2+
Authors:Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
Deposit date:2016-05-24
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 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
Authors:Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S.
Deposit date:2017-06-28
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins.
J. Am. Chem. Soc., 139, 2017
6ANX
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BU of 6anx by Molmil
Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - WT (low exposure)
Descriptor: ACETATE ION, SULFATE ION, Streptavidin, ...
Authors:Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S.
Deposit date:2017-08-14
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins.
J. Am. Chem. Soc., 139, 2017
6ESS
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BU of 6ess by Molmil
Artificial imine reductase mutant S112A-N118P-K121A-S122M
Descriptor: IRIDIUM 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)
Authors:Hestericova, M, Heinisch, T, Alonso-Cotchico, L, Marechal, J.-D, Vidossich, P, Ward, T.R.
Deposit date:2017-10-24
Release date:2018-01-03
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Directed Evolution of an Artificial Imine Reductase.
Angew. Chem. Int. Ed. Engl., 57, 2018
6ESU
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BU of 6esu by Molmil
Artificial imine reductase mutant S112A-N118P-K121A-S122M
Descriptor: 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}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide, ACETATE ION, IRIDIUM ION, ...
Authors:Hestericova, M, Heinisch, T, Alonso-Cotchico, L, Marechal, J.-D, Vidossich, P, Ward, T.R.
Deposit date:2017-10-24
Release date:2018-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Directed Evolution of an Artificial Imine Reductase.
Angew. Chem. Int. Ed. Engl., 57, 2018
6FRY
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BU of 6fry by Molmil
Photo-Driven Hydrogen Evolution by an Artificial Hydrogenase Utilizing the Biotin-Streptavidin Technology
Descriptor: Streptavidin, [CoBr(appy)-Biot]Br
Authors:Keller, S, Probst, B, Heinisch, T, Alberto, R, Ward, T.R.
Deposit date:2018-02-16
Release date:2019-03-13
Last modified:2020-11-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Photo-Driven Hydrogen Evolution by an Artificial Hydrogenase Utilizing the Biotin-Streptavidin Technology
Helv.Chim.Acta, 101, 2018
6UIY
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BU of 6uiy by Molmil
Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases
Descriptor: ACETATE ION, Streptavidin, {5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl)methyl][(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)pentanamide}iron(2+)
Authors: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.
Deposit date:2019-10-01
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
6UIU
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BU of 6uiu by Molmil
Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases
Descriptor: 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
Authors: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.
Deposit date:2019-10-01
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
Descriptor: 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+)
Authors: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.
Deposit date:2019-10-01
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 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+)
Authors: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.
Deposit date:2019-09-29
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020

 

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