4OQH
 
 | | Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation in complex with boron-based inhibitor EC25 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, CALCIUM ION, ... | | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2014-02-09 | | Release date: | 2015-05-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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4OQI
 | | Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutations | | Descriptor: | CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase | | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2014-02-09 | | Release date: | 2015-05-20 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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4OPR
 | | Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation | | Descriptor: | CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase, ... | | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2014-02-06 | | Release date: | 2015-05-20 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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4OQ0
 | | Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutation in complex with boron-based inhibitor EC25 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, CALCIUM ION, ... | | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2014-02-07 | | Release date: | 2015-05-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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5WL3
 | | Crystal structure of chalcone isomerase engineered from ancestral inference (ancR2) | | Descriptor: | CHLORIDE ION, Engineered Chalcone Isomerase ancR2 | | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | | Deposit date: | 2017-07-25 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
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3SRG
 | | Serum paraoxonase-1 by directed evolution at pH 6.5 in complex with 2-hydroxyquinoline | | Descriptor: | BROMIDE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ben David, M, Elias, M, Silman, I, Sussman, J.L, Tawfik, D.S. | | Deposit date: | 2011-07-07 | | Release date: | 2012-03-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Catalytic versatility and backups in enzyme active sites: the case of serum paraoxonase 1.
J.Mol.Biol., 418, 2012
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3SRE
 | | Serum paraoxonase-1 by directed evolution at pH 6.5 | | Descriptor: | BROMIDE ION, CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Ben David, M, Elias, M, Silman, I, Sussman, J.L, Tawfik, D.S. | | Deposit date: | 2011-07-07 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Catalytic versatility and backups in enzyme active sites: the case of serum paraoxonase 1.
J.Mol.Biol., 418, 2012
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4OQG
 | | Crystal structure of TEM-1 beta-lactamase in complex with boron-based inhibitor EC25 | | Descriptor: | 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, Ampicillin resistance protein, ZINC ION | | Authors: | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2014-02-09 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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4Q1U
 | | Serum paraoxonase-1 by directed evolution with the K192Q mutation | | Descriptor: | BROMIDE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ben-David, M, Sussman, J.L, Tawfik, D.S. | | Deposit date: | 2014-04-04 | | Release date: | 2015-02-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Catalytic stimulation by restrained active-site floppiness-the case of high density lipoprotein-bound serum paraoxonase-1.
J.Mol.Biol., 427, 2015
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3UXD
 | | Designed protein KE59 R1 7/10H with dichlorobenzotriazole (DBT) | | Descriptor: | 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION | | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-12-05 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UY7
 | | Designed protein KE59 R1 7/10H with G130S mutation | | Descriptor: | Kemp eliminase KE59 R1 7/10H, SODIUM ION, SULFATE ION | | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-12-06 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UXA
 | | Designed protein KE59 R1 7/10H | | Descriptor: | Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION | | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-12-05 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UY8
 | | Designed protein KE59 R5_11/5F | | Descriptor: | Kemp eliminase KE59 R5_11/5F, SULFATE ION | | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-12-06 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UZ5
 | | Designed protein KE59 R13 3/11H | | Descriptor: | 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R13 3/11H, PHOSPHATE ION, ... | | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-12-07 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UZJ
 | | Designed protein KE59 R13 3/11H with benzotriazole | | Descriptor: | 1H-benzotriazole, Kemp eliminase KE59 R13 3/11H, PHOSPHATE ION | | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-12-07 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UYC
 | | Designed protein KE59 R8_2/7A | | Descriptor: | Kemp eliminase KE59 R8_2/7A, PHOSPHATE ION | | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-12-06 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
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6FS3
 | | 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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4FNG
 | | The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina | | Descriptor: | E3 alpha-esterase-7 caboxylesterase | | Authors: | Jackson, C.J, Liu, J.-W, Carr, P.D, Younis, F, Pandey, G, Coppin, C, Meirelles, T, Ollis, D.L, Tawfik, D.S, Weik, M, Oakeshott, J.G. | | Deposit date: | 2012-06-19 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure and function of an insect alpha-carboxylesterase ( alpha Esterase7) associated with insecticide resistance.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4FNM
 | | The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina | | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 alpha-esterase-7 carboxylesterase | | Authors: | Jackson, C.J, Liu, J.-W, Carr, P.D, Younis, F, Pandey, G, Coppin, C, Meirelles, T, Ollis, D.L, Tawfik, D.S, Weik, M, Oakeshott, J.G. | | Deposit date: | 2012-06-20 | | Release date: | 2013-12-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.804 Å) | | Cite: | Structure and function of an insect alpha-carboxylesterase ( alpha Esterase7) associated with insecticide resistance.
Proc.Natl.Acad.Sci.USA, 110, 2013
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