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5TZO
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BU of 5tzo by Molmil
Computationally Designed Fentanyl Binder - Fen49*-Complex
分子名称: CHLORIDE ION, Endo-1,4-beta-xylanase A, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide, ...
著者Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D.
登録日2016-11-22
公開日2017-10-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
5TVV
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BU of 5tvv by Molmil
Computationally Designed Fentanyl Binder - Fen49* Apo
分子名称: Endo-1,4-beta-xylanase A, POTASSIUM ION
著者Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, A.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D.
登録日2016-11-10
公開日2017-10-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
5TVY
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BU of 5tvy by Molmil
Computationally Designed Fentanyl Binder - Fen49
分子名称: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Endo-1,4-beta-xylanase A
著者Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D.
登録日2016-11-10
公開日2017-10-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
4J7X
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BU of 4j7x by Molmil
Crystal structure of human sepiapterin reductase in complex with sulfasalazine
分子名称: 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Groenlund Pedersen, M, Pojer, F, Johnsson, K.
登録日2013-02-14
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Groenlund Pedersen, M, Pojer, F, Johnsson, K.
登録日2013-02-14
公開日2013-06-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Tetrahydrobiopterin biosynthesis as an off-target of sulfa drugs.
Science, 340, 2013
8B6O
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BU of 8b6o by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 141-156 (cpHaloTagDelta) fused to M13
分子名称: CHLORIDE ION, Haloalkane dehalogenase
著者Tarnawski, M, Johnsson, K, Hiblot, J.
登録日2022-09-27
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 141-156 (cpHaloTagDelta) fused to M13
To Be Published
8B6Q
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BU of 8b6q by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 with an insertion of Calmodulin-M13 fusion at position 154-156 that mimic the structure of CaProLa, an calcium gated protein labeling technology
分子名称: CALCIUM ION, CHLORIDE ION, Haloalkane dehalogenase,Calmodulin-1,Haloalkane dehalogenase,Calmodulin-1,M13 peptide
著者Tarnawski, M, Johnsson, K, Hiblot, J.
登録日2022-09-27
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献X-ray structure of the haloalkane dehalogenase HaloTag7 with an insertion of Calmodulin-M13 fusion at position 154-156 that mimic the structure of CaProLa, an calcium gated protein labeling technology
To Be Published
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
分子名称: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
著者Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K.
登録日2020-07-27
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
分子名称: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K.
登録日2020-07-27
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-P174W 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
分子名称: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
著者Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K.
登録日2020-07-27
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-P174L 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
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K.
登録日2020-07-27
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-Q165H 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
分子名称: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
著者Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K.
登録日2020-07-27
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
分子名称: CHLORIDE ION, GLYCEROL, Green fluorescent protein,Haloalkane dehalogenase, ...
著者Tarnawski, M, Hellweg, L, Hiblot, J.
登録日2022-09-27
公開日2023-07-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 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
著者Tarnawski, M, Hellweg, L, Hiblot, J.
登録日2022-09-27
公開日2023-07-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
著者Tarnawski, M, Hellweg, L, Hiblot, J.
登録日2022-09-27
公開日2023-07-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
分子名称: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.3
著者Stoddard, B.L, Doyle, L.A.
登録日2013-02-15
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献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
分子名称: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.2
著者Stoddard, B.L, Doyle, L.A.
登録日2013-02-14
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献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
分子名称: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.2, GLYCEROL
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3a
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
5IF6
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BU of 5if6 by Molmil
Structure of a computationally designed 17-OHP binder
分子名称: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9_1c, SODIUM ION
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
5IER
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BU of 5ier by Molmil
Structure of a computationally designed 17-OHP binder
分子名称: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9, SODIUM ION, ...
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献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
分子名称: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3b
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.893 Å)
主引用文献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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