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4Q1U
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BU of 4q1u by Molmil
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:2023-09-20
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
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
2BJM
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BU of 2bjm by Molmil
SPE7:Anthrone Complex
Descriptor: ANTHRONE, IGE SPE7 HEAVY CHAIN, IGE SPE7 LIGHT CHAIN
Authors:James, L.C, Tawfik, D.S.
Deposit date:2005-02-04
Release date:2005-08-18
Last modified:2013-10-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure and Kinetics of a Transient Antibody Binding Intermediate Reveal a Kinetic Discrimination Mechanism in Antigen Recognition
Proc.Natl.Acad.Sci.USA, 102, 2005
4E3T
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BU of 4e3t by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase with Bound Transition State Analog
Descriptor: Phosphotriesterase, ZINC ION, hexyl(naphthalen-2-yloxy)phosphinic acid
Authors:Tokuriki, N, Jackson, C.J, Tawfik, D.S.
Deposit date:2012-03-10
Release date:2013-01-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme
Nat Commun, 3, 2012
6MS8
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BU of 6ms8 by Molmil
Crystal Structure of Chalcone Isomerase from Medicago Truncatula Complexed with (2S) Naringenin
Descriptor: Chalcone-flavonone isomerase family protein, NARINGENIN
Authors: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.
Deposit date:2018-10-16
Release date:2019-08-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
3A3W
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BU of 3a3w by Molmil
Structure of OpdA mutant (G60A/A80V/S92A/R118Q/K185R/Q206P/D208G/I260T/G273S) with diethyl 4-methoxyphenyl phosphate bound in the active site
Descriptor: COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE, Phosphotriesterase
Authors:Ollis, D.L, Tawfik, D.S, Schenk, G, Jackson, C.J, Foo, J.L, Tokuriki, N, Afriat, L, Carr, P.D, Kim, H.K.
Deposit date:2009-06-23
Release date:2010-01-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009
3A3X
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BU of 3a3x by Molmil
Structure of OpdA mutant (G60A/A80V/R118Q/K185R/Q206P/D208G/I260T/G273S)
Descriptor: COBALT (II) ION, Phosphotriesterase
Authors:Ollis, D.L, Tawfik, D.S, Schenk, G, Jackson, C.J, Foo, J.L, Tokuriki, N, Afriat, L, Carr, P.D, Kim, H.K.
Deposit date:2009-06-23
Release date:2010-01-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009
5C2M
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BU of 5c2m by Molmil
The de novo evolutionary emergence of a symmetrical protein is shaped by folding constraints
Descriptor: Predicted protein
Authors:Smock, R.G, Yadid, I, Dym, O, Clarke, J, Tawfik, D.S.
Deposit date:2015-06-16
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:De Novo Evolutionary Emergence of a Symmetrical Protein Is Shaped by Folding Constraints.
Cell, 164, 2016
5C2N
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BU of 5c2n by Molmil
The de novo evolutionary emergence of a symmetrical protein is shaped by folding constraints
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta propeller
Authors:Smock, R.G, Yadid, I, Dym, O, Clarke, J, Tawfik, D.S.
Deposit date:2015-06-16
Release date:2016-01-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:De Novo Evolutionary Emergence of a Symmetrical Protein Is Shaped by Folding Constraints.
Cell, 164, 2016
7MFT
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BU of 7mft by Molmil
Glutamate synthase, glutamate dehydrogenase counter-enzyme complex (GudB6-GltA6-GltB6)
Descriptor: FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Jayaraman, V, Lee, D.J, Elad, N, Fraser, J.S, Tawfik, D.S.
Deposit date:2021-04-11
Release date:2022-01-05
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:A counter-enzyme complex regulates glutamate metabolism in Bacillus subtilis.
Nat.Chem.Biol., 18, 2022
7MFM
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BU of 7mfm by Molmil
Glutamate synthase, glutamate dehydrogenase counter-enzyme complex
Descriptor: FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Jayaraman, V, Lee, D.J, Elad, N, Fraser, J.S, Tawfik, D.S.
Deposit date:2021-04-10
Release date:2022-01-05
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (2.42 Å)
Cite:A counter-enzyme complex regulates glutamate metabolism in Bacillus subtilis.
Nat.Chem.Biol., 18, 2022
1V04
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BU of 1v04 by Molmil
serum paraoxonase by directed evolution
Descriptor: CALCIUM ION, PHOSPHATE ION, SERUM PARAOXONASE/ARYLESTERASE 1
Authors:Harel, M, Aharoni, A, Gaidukov, L, Brumshtein, B, Khersonsky, O, Yagur, S, Meged, R, Dvir, H, Ravelli, R.B.G, McCarthy, A, Toker, L, Silman, I, Sussman, J.L, Tawfik, D.S.
Deposit date:2004-03-22
Release date:2004-04-23
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Evolution of the Serum Paraoxonase Family of Detoxifying and Anti-Atherosclerotic Enzymes
Nat.Struct.Mol.Biol., 11, 2004
5WL6
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BU of 5wl6 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (AncR7)
Descriptor: CHLORIDE ION, Engineered Chalcone Isomerase AncR7
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 (1.6 Å)
Cite: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)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Engineered Chalcone Isomerase ancR1, FORMIC ACID, ...
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 (1.5 Å)
Cite: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)
Descriptor: CHLORIDE ION, Engineered Chalcone Isomerase ancR5, SULFATE ION
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 (1.513 Å)
Cite: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*)
Descriptor: CHLORIDE ION, Engineered Chalcone Isomerase ancCHI*
Authors:Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
Deposit date:2017-07-25
Release date:2018-05-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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)
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
6G82
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BU of 6g82 by Molmil
Serum paraoxonase-1 by directed evolution with the L69S/H115W/F222S mutations
Descriptor: CALCIUM ION, Serum paraoxonase-1 by directed evolution with the L69S/H115W/F222S mutations
Authors:Ben-David, M, Sussman, J.L, Tawfik, D.S.
Deposit date:2018-04-07
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
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
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
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
6GMU
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BU of 6gmu by Molmil
Serum paraoxonase-1 by directed evolution with the L69G/H134R/F222S/T332S mutations
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Ben-David, M, Sussman, J.L, Tawfik, D.S.
Deposit date:2018-05-28
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, CALCIUM ION, ...
Authors:Ben-David, M, Sussman, J.L, Tawfik, D.S.
Deposit date:2018-07-07
Release date:2019-07-17
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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+
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
3GKL
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BU of 3gkl by Molmil
Following evolutionary paths to high affinity and selectivity protein-protein interactions using Colicin7 and Immunity proteins
Descriptor: Colicin-E7, Colicin-E9 immunity protein, ZINC ION
Authors:Dym, O, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2009-03-11
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Following evolutionary paths to high affinity and selectivity protein-protein interactions
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