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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
6CJO
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BU of 6cjo by Molmil
Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95S mutation.
分子名称: Chalcone--flavonone isomerase 1, SULFATE ION
著者Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P.
登録日2018-02-26
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
6CJN
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BU of 6cjn by Molmil
Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95T mutation
分子名称: Chalcone--flavonone isomerase 1, SULFATE ION
著者Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P.
登録日2018-02-26
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
4GY1
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BU of 4gy1 by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase with Bound Cacodylate
分子名称: CACODYLATE ION, ZINC ION, arylesterase variant of phosphotriesterase
著者Jackson, C.J, Tokuriki, N, Tawfik, D.S.
登録日2012-09-05
公開日2013-08-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme
Nat Commun, 3, 2012
4GY0
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BU of 4gy0 by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase
分子名称: ZINC ION, arylesterase variant of phosphotriesterase
著者Jackson, C.J, Tokuriki, N, Tawfik, D.S.
登録日2012-09-05
公開日2013-08-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme
Nat Commun, 3, 2012
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
4IBR
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BU of 4ibr by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S/E104K mutations
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, TEM-94 ES-beta-lactamase
著者Dellus-Gur, E, Toth-Petroczy, A, Elias, M, Tawfik, D.S.
登録日2012-12-09
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献What Makes a Protein Fold Amenable to Functional Innovation? Fold Polarity and Stability Trade-offs.
J.Mol.Biol., 425, 2013
6GBJ
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BU of 6gbj by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
分子名称: 1,2-ETHANEDIOL, 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 (1.63 Å)
主引用文献Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
4IBX
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BU of 4ibx by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase TEM, CALCIUM ION, ...
著者Dellus-Gur, E, Toth-Petroczy, A, Elias, M, Tawfik, D.S.
登録日2012-12-09
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献What Makes a Protein Fold Amenable to Functional Innovation? Fold Polarity and Stability Trade-offs.
J.Mol.Biol., 425, 2013
6GMU
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BU of 6gmu by Molmil
Serum paraoxonase-1 by directed evolution with the L69G/H134R/F222S/T332S mutations
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Ben-David, M, Sussman, J.L, Tawfik, D.S.
登録日2018-05-28
公開日2019-04-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
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
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
3SRG
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BU of 3srg by Molmil
Serum paraoxonase-1 by directed evolution at pH 6.5 in complex with 2-hydroxyquinoline
分子名称: BROMIDE ION, CALCIUM ION, CHLORIDE ION, ...
著者Ben David, M, Elias, M, Silman, I, Sussman, J.L, Tawfik, D.S.
登録日2011-07-07
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Catalytic versatility and backups in enzyme active sites: the case of serum paraoxonase 1.
J.Mol.Biol., 418, 2012
3SRE
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BU of 3sre by Molmil
Serum paraoxonase-1 by directed evolution at pH 6.5
分子名称: BROMIDE ION, CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ...
著者Ben David, M, Elias, M, Silman, I, Sussman, J.L, Tawfik, D.S.
登録日2011-07-07
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Catalytic versatility and backups in enzyme active sites: the case of serum paraoxonase 1.
J.Mol.Biol., 418, 2012
3UYC
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BU of 3uyc by Molmil
Designed protein KE59 R8_2/7A
分子名称: Kemp eliminase KE59 R8_2/7A, PHOSPHATE ION
著者Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
登録日2011-12-06
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
3UXD
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BU of 3uxd by Molmil
Designed protein KE59 R1 7/10H with dichlorobenzotriazole (DBT)
分子名称: 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION
著者Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
登録日2011-12-05
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
3UY7
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BU of 3uy7 by Molmil
Designed protein KE59 R1 7/10H with G130S mutation
分子名称: Kemp eliminase KE59 R1 7/10H, SODIUM ION, SULFATE ION
著者Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
登録日2011-12-06
公開日2012-06-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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
3UXA
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BU of 3uxa by Molmil
Designed protein KE59 R1 7/10H
分子名称: Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION
著者Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
登録日2011-12-05
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
3UZ5
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BU of 3uz5 by Molmil
Designed protein KE59 R13 3/11H
分子名称: 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R13 3/11H, PHOSPHATE ION, ...
著者Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
登録日2011-12-07
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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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