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6H0A
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BU of 6h0a by Molmil
Serum paraoxonase-1 by directed evolution with the L69G/H115W/H134R/F222S/T332S mutations
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, CALCIUM ION, ...
著者Ben-David, M, Sussman, J.L, Tawfik, D.S.
登録日2018-07-07
公開日2019-07-17
最終更新日2020-04-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
6G82
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BU of 6g82 by Molmil
Serum paraoxonase-1 by directed evolution with the L69S/H115W/F222S mutations
分子名称: CALCIUM ION, Serum paraoxonase-1 by directed evolution with the L69S/H115W/F222S mutations
著者Ben-David, M, Sussman, J.L, Tawfik, D.S.
登録日2018-04-07
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
6GBK
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BU of 6gbk by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Parathion hydrolase, ...
著者Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
登録日2018-04-15
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, CACODYLATE ION, FORMIC ACID, ...
著者Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
登録日2018-04-15
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
6GVS
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BU of 6gvs by Molmil
Engineered glycolyl-CoA reductase comprising 8 mutations with bound NADP+
分子名称: Aldehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION
著者Zarzycki, J, Trudeau, D, Scheffen, M, Erb, T.J, Tawfik, D.S.
登録日2018-06-21
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.579 Å)
主引用文献Design and in vitro realization of carbon-conserving photorespiration.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5WL8
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BU of 5wl8 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (epR4)
分子名称: Engineered Chalcone Isomerase epR4, FORMIC ACID
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WKR
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BU of 5wkr by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancCC)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Engineered Chalcone Isomerase ancCC, ...
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WL4
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BU of 5wl4 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (ancR3)
分子名称: Engineered Chalcone Isomerase ancR3, FORMIC ACID
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WL6
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BU of 5wl6 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (AncR7)
分子名称: CHLORIDE ION, Engineered Chalcone Isomerase AncR7
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WL3
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BU of 5wl3 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (ancR2)
分子名称: CHLORIDE ION, Engineered Chalcone Isomerase ancR2
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WKS
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BU of 5wks by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancR1)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Engineered Chalcone Isomerase ancR1, FORMIC ACID, ...
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WL5
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BU of 5wl5 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (ancR5)
分子名称: CHLORIDE ION, Engineered Chalcone Isomerase ancR5, SULFATE ION
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.513 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WL7
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BU of 5wl7 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (ancCHI*)
分子名称: CHLORIDE ION, Engineered Chalcone Isomerase ancCHI*
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
4OQI
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BU of 4oqi by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutations
分子名称: CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-09
公開日2015-05-20
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献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
4OP8
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BU of 4op8 by Molmil
Room temperature crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation
分子名称: CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase, ...
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-05
公開日2015-05-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
4Q1U
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BU of 4q1u by Molmil
Serum paraoxonase-1 by directed evolution with the K192Q mutation
分子名称: BROMIDE ION, CALCIUM ION, CHLORIDE ION, ...
著者Ben-David, M, Sussman, J.L, Tawfik, D.S.
登録日2014-04-04
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Catalytic stimulation by restrained active-site floppiness-the case of high density lipoprotein-bound serum paraoxonase-1.
J.Mol.Biol., 427, 2015
4OPY
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BU of 4opy by Molmil
Room temperature crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation
分子名称: CALCIUM ION, Extended spectrum beta-lactamase TEM-63, SULFATE ION, ...
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-07
公開日2015-05-20
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
4OP5
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BU of 4op5 by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Extended spectrum beta-lactamase TEM-63, ...
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-05
公開日2015-05-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献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
4OQH
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BU of 4oqh by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S mutation in complex with boron-based inhibitor EC25
分子名称: 1,2-ETHANEDIOL, 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, CALCIUM ION, ...
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-09
公開日2015-05-20
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
4OPQ
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BU of 4opq by Molmil
Room temperature crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutations
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-06
公開日2015-05-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
4OPZ
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BU of 4opz by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation in complex with boron-based inhibitor EC25
分子名称: 1,2-ETHANEDIOL, 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, ACETATE ION, ...
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-07
公開日2015-05-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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
4OPR
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BU of 4opr by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation
分子名称: CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase, ...
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-06
公開日2015-05-20
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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
4OQ0
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BU of 4oq0 by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutation in complex with boron-based inhibitor EC25
分子名称: 1,2-ETHANEDIOL, 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, CALCIUM ION, ...
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-07
公開日2015-05-20
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献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
4OQG
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BU of 4oqg by Molmil
Crystal structure of TEM-1 beta-lactamase in complex with boron-based inhibitor EC25
分子名称: 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, Ampicillin resistance protein, ZINC ION
著者Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
登録日2014-02-09
公開日2015-05-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
2RKX
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BU of 2rkx by Molmil
The 3D structure of chain D, cyclase subunit of imidazoleglycerol_evolvedcerolphosphate synthase
分子名称: Cyclase subunit of imidazoleglycerol_evolvedcerolphosphate synthase
著者Tawfik, D, Khersonsky, O, Albeck, S, Dym, O, Israel Structural Proteomics Center (ISPC)
登録日2007-10-18
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Kemp elimination catalysts by computational enzyme design.
Nature, 453, 2008

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