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5HQ3
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BU of 5hq3 by Molmil
Stable, high-expression variant of human acetylcholinesterase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetylcholinesterase, O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP
Authors:Goldenzweig, A, Goldsmith, M, Hill, S.E, Gertman, O, Laurino, P, Ashani, Y, Dym, O, Albeck, S, Unger, T, Prilusky, J, Lieberman, R.L, Aharoni, A, Silman, I, Sussman, J.L, Tawfik, D.S, Fleishman, S.J.
Deposit date:2016-01-21
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Automated Structure- and Sequence-Based Design of Proteins for High Bacterial Expression and Stability.
Mol.Cell, 63, 2016
6FFW
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BU of 6ffw by Molmil
Phosphotriesterase PTE_A53_5
Descriptor: (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-01-09
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.495 Å)
Cite:Phosphotriesterase PTE_A53_5
To Be Published
6FQE
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BU of 6fqe by Molmil
Phosphotriesterase PTE_A53_4
Descriptor: (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-02-14
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Phosphotriesterase PTE_A53_4
To Be Published
6FRZ
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BU of 6frz by Molmil
Phosphotriesterase PTE_A53_7
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methylcyclohexane-1,1,3,3-tetrol, DI(HYDROXYETHYL)ETHER, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-02-18
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Phosphotriesterase PTE_A53_7
To Be Published
6G1J
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BU of 6g1j by Molmil
Phosphotriesterase PTE_C23M_1
Descriptor: 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-03-21
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phosphotriesterase PTE_C23M_1
To Be Published
6FWE
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BU of 6fwe by Molmil
Phosphotriesterase PTE_C23_6
Descriptor: 1-[methoxy(methyl)phosphoryl]oxyethane, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-03-06
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.774 Å)
Cite:Phosphotriesterase PTE_C23_6
To Be Published
6GBK
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BU of 6gbk by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Parathion hydrolase, ...
Authors:Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
Deposit date:2018-04-15
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
6GBL
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BU of 6gbl by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, FORMIC ACID, ...
Authors:Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
Deposit date:2018-04-15
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
6FU6
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BU of 6fu6 by Molmil
Phosphotriesterase PTE_C23_2
Descriptor: FORMIC ACID, POLYACRYLIC ACID, Parathion hydrolase, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-02-26
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Phosphotriesterase PTE_A53_4
To Be Published
6G3M
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BU of 6g3m by Molmil
Phosphotriesterase PTE_C23M_4
Descriptor: 1-ethyl-1-methyl-cyclohexane, CHLORIDE ION, FORMIC ACID, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-03-26
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.665 Å)
Cite:Phosphotriesterase PTE_C23M_4
To Be Published
6GBJ
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BU of 6gbj by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, Parathion hydrolase, ...
Authors:Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
Deposit date:2018-04-15
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
6ZBS
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BU of 6zbs by Molmil
Beta ODAP Synthetase (BOS)
Descriptor: Beta ODAP Synthetase (BOS), DI(HYDROXYETHYL)ETHER, MAGNESIUM ION
Authors:Dym, O.
Deposit date:2020-06-09
Release date:2022-01-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Identification and characterization of the key enzyme in the biosynthesis of the neurotoxin beta-ODAP in grass pea.
J.Biol.Chem., 298, 2022
6QJZ
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BU of 6qjz by Molmil
Identificationand Characterization of an Oxalylfrom Grass pea (Lathyrus sativusCoA-Synthetase L.)
Descriptor: ADENOSINE MONOPHOSPHATE, oxalyl CoA-synthetase
Authors:Dym, O.
Deposit date:2019-01-28
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The identification and characterization of an oxalyl-CoA synthetase from grass pea ( Lathyrus sativus L.).
Rsc Chem Biol, 3, 2022
8A9Q
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BU of 8a9q by Molmil
Computational design of stable mammalian serum albumins for bacterial expression
Descriptor: Albumin, LAURIC ACID, MYRISTIC ACID, ...
Authors:Khersonsky, O, Dym, O, Fleishman, J.S.
Deposit date:2022-06-29
Release date:2023-05-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Stable Mammalian Serum Albumins Designed for Bacterial Expression.
J.Mol.Biol., 435, 2023
6GVS
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BU of 6gvs by Molmil
Engineered glycolyl-CoA reductase comprising 8 mutations with bound NADP+
Descriptor: Aldehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION
Authors:Zarzycki, J, Trudeau, D, Scheffen, M, Erb, T.J, Tawfik, D.S.
Deposit date:2018-06-21
Release date:2018-11-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.579 Å)
Cite:Design and in vitro realization of carbon-conserving photorespiration.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3T1G
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BU of 3t1g by Molmil
Engineering of organophosphate hydrolase by computational design and directed evolution
Descriptor: CALCIUM ION, ZINC ION, organophosphate hydrolase
Authors:Takeuchi, R, Stoddard, B.L.
Deposit date:2011-07-21
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Computational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis.
Nat.Chem.Biol., 8, 2012
6FS3
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BU of 6fs3 by Molmil
Phosphotriesterase PTE_A53_1
Descriptor: (2~{S})-2-methylpentanedioic acid, FORMIC ACID, Parathion hydrolase, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-02-19
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of Bacterail Phosphotriesterase variant with high catalytic activity towards organophosphate nerve agents developed by use of structure-based design and molecular evolution
To Be Published

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