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7ZJ0
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BU of 7zj0 by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a pentylmethanesulfonamide tetramethylrhodamine ligand (TMR-S5)
Descriptor: GLYCEROL, Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[5-(methylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
Deposit date:2022-04-08
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Exchangeable HaloTag Ligands for Super-Resolution Fluorescence Microscopy.
J.Am.Chem.Soc., 145, 2023
7ZIW
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BU of 7ziw by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butyltrifluoromethanesulfonamide tetramethylrhodamine ligand (TMR-T4)
Descriptor: Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[4-(trifluoromethylsulfonylamino)butoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
Deposit date:2022-04-08
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butyltrifluoromethanesulfonamide tetramethylrhodamine ligand (FSAm(4)-TMR)
To Be Published
7ZIV
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BU of 7ziv by Molmil
X-ray structure of the haloalkane dehalogenase dead variant HaloTag7-D106A bound to a chloroalkane tetramethylrhodamine fluorophore ligand (CA-TMR)
Descriptor: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
Deposit date:2022-04-08
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray structure of the haloalkane dehalogenase dead variant HaloTag7-D106A bound to a chloroalkane tetramethylrhodamine fluorophore ligand (CA-TMR)
To Be Published
7ZIX
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BU of 7zix by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butylmethanesulfonamide tetramethylrhodamine ligand (TMR-S4)
Descriptor: Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[4-(methylsulfonylamino)butoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
Deposit date:2022-04-08
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butylmethanesulfonamide tetramethylrhodamine ligand (HSAm(4)-TMR)
To Be Published
7ZIY
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BU of 7ziy by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a pentyltrifluoromethanesulfonamide tetramethylrhodamine ligand (TMR-T5)
Descriptor: CALCIUM ION, Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[5-(trifluoromethylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
Deposit date:2022-04-08
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exchangeable HaloTag Ligands for Super-Resolution Fluorescence Microscopy.
J.Am.Chem.Soc., 145, 2023
4J7X
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BU of 4j7x by Molmil
Crystal structure of human sepiapterin reductase in complex with sulfasalazine
Descriptor: 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Groenlund Pedersen, M, Pojer, F, Johnsson, K.
Deposit date:2013-02-14
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human sepiapterin reductase in complex with sulfasalazine
To be Published
4J7U
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BU of 4j7u by Molmil
Crystal structure of human sepiapterin reductase in complex with sulfathiazole
Descriptor: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Groenlund Pedersen, M, Pojer, F, Johnsson, K.
Deposit date:2013-02-14
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Tetrahydrobiopterin biosynthesis as an off-target of sulfa drugs.
Science, 340, 2013
6ZVY
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BU of 6zvy by Molmil
X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-Q165H-P174R LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE
Descriptor: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K.
Deposit date:2020-07-27
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Engineered HaloTag variants for fluorescence lifetime multiplexing.
Nat.Methods, 19, 2022
6ZVV
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BU of 6zvv by Molmil
X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-P174W LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K.
Deposit date:2020-07-27
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-P174W LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE
To Be Published
6ZVW
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BU of 6zvw by Molmil
X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-Q165H LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K.
Deposit date:2020-07-27
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-Q165H LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE
To Be Published
6ZVU
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BU of 6zvu by Molmil
X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-P174L LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE
Descriptor: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K.
Deposit date:2020-07-27
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-P174L LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE
To Be Published
6ZVX
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BU of 6zvx by Molmil
X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-Q165H-P174L LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE
Descriptor: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K.
Deposit date:2020-07-27
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-Q165H-P174L LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE
To Be Published
8B6S
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BU of 8b6s by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 fusion to the green fluorescent protein GFP (ChemoG1) labeled with a chloroalkane tetramethylrhodamine fluorophore substrate
Descriptor: CHLORIDE ION, GLYCEROL, Green fluorescent protein,Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Hellweg, L, Hiblot, J.
Deposit date:2022-09-27
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A general method for the development of multicolor biosensors with large dynamic ranges.
Nat.Chem.Biol., 19, 2023
8B6T
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BU of 8b6t by Molmil
X-ray structure of the interface optimized haloalkane dehalogenase HaloTag7 fusion to the green fluorescent protein GFP (ChemoG5-TMR) labeled with a chloroalkane tetramethylrhodamine fluorophore substrate
Descriptor: CHLORIDE ION, Green fluorescent protein,Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Hellweg, L, Hiblot, J.
Deposit date:2022-09-27
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:A general method for the development of multicolor biosensors with large dynamic ranges.
Nat.Chem.Biol., 19, 2023
8B6R
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BU of 8b6r by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 labeled with a chloroalkane Cyanine3 fluorophore substrate
Descriptor: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Hellweg, L, Hiblot, J.
Deposit date:2022-09-27
Release date:2023-07-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A general method for the development of multicolor biosensors with large dynamic ranges.
Nat.Chem.Biol., 19, 2023
4J9A
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BU of 4j9a by Molmil
Engineered Digoxigenin binder DIG10.3
Descriptor: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.3
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2013-02-15
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
4J8T
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BU of 4j8t by Molmil
Engineered Digoxigenin binder DIG10.2
Descriptor: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.2
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2013-02-14
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
5IEN
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BU of 5ien by Molmil
Structure of CDL2.2, a computationally designed Vitamin-D3 binder
Descriptor: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.2, GLYCEROL
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
5IEO
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BU of 5ieo by Molmil
Structure of CDL2.3a, a computationally designed Vitamin-D3 binder
Descriptor: 1,2-ETHANEDIOL, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3a
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
5IER
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BU of 5ier by Molmil
Structure of a computationally designed 17-OHP binder
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9, SODIUM ION, ...
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
5IF6
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BU of 5if6 by Molmil
Structure of a computationally designed 17-OHP binder
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9_1c, SODIUM ION
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
5IEP
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BU of 5iep by Molmil
Structure of CDL2.3b, a computationally designed Vitamin-D3 binder
Descriptor: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3b
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
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