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PDB: 55 results

8BY0
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BU of 8by0 by Molmil
streptavidin mutant S112I K121R with an iridium catalyst for CH activation
Descriptor: SULFATE ION, Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2022-12-11
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:streptavidin mutant S112I with an iridium catalyst for CH activation
To Be Published
8OJW
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Streptavidin WT artificial metalloenzyme for carboamination
Descriptor: CHLORIDE ION, SULFATE ION, Streptavidin, ...
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2023-03-25
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.484 Å)
Cite:Streptavidin WT artificial metalloenzyme for carboamination
To Be Published
8OJX
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BU of 8ojx by Molmil
Streptavidin S112YK121E artificial metalloenzyme for carboamination
Descriptor: 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+)
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2023-03-25
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Streptavidin WT artificial metalloenzyme for carboamination
To Be Published
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
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
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
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
2BC3
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BU of 2bc3 by Molmil
T7-tagged full-length streptavidin
Descriptor: GLYCEROL, SULFATE ION, Streptavidin
Authors:Stenkamp, R.E, Le Trong, I, Ward, T.R, Humbert, N.
Deposit date:2005-10-18
Release date:2005-10-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystallographic Analysis of a Full-length Streptavidin with Its C-terminal Polypeptide Bound in the Biotin Binding Site.
J.Mol.Biol., 356, 2006
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:2024-05-08
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:2024-05-08
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
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
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:E. colisurface display of streptavidin for directed evolution of an allylic deallylase.
Chem Sci, 9, 2018
5WBB
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BU of 5wbb by Molmil
Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - S112A
Descriptor: COPPER (II) ION, GLYCEROL, SULFATE ION, ...
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
5WBA
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BU of 5wba by Molmil
Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - WT
Descriptor: ACETATE ION, COPPER (II) ION, SULFATE ION, ...
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
5WBC
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BU of 5wbc by Molmil
Designed Artificial Cupredoxins - WT
Descriptor: ACETATE ION, GLYCEROL, Streptavidin, ...
Authors:Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
Deposit date:2017-06-28
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.72 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
5VL5
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BU of 5vl5 by Molmil
Coordination Chemistry within a Protein Host: Regulation of the Secondary Coordination Sphere
Descriptor: 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
Authors:Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S.
Deposit date:2017-04-24
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Coordination chemistry within a protein host: regulation of the secondary coordination sphere.
Chem. Commun. (Camb.), 54, 2018
6UIY
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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
6US6
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BU of 6us6 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:2019-10-24
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 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
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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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

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