4GY1
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4Q1U
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![BU of 4q1u by Molmil](/molmil-images/mine/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: | 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
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5WL8
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![BU of 5wl8 by Molmil](/molmil-images/mine/5wl8) | Crystal structure of chalcone isomerase engineered from ancestral inference (epR4) | Descriptor: | Engineered Chalcone Isomerase epR4, 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 (1.58 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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5WKR
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![BU of 5wkr by Molmil](/molmil-images/mine/5wkr) | Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancCC) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Engineered Chalcone Isomerase ancCC, ... | 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 (1.4 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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5WL4
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![BU of 5wl4 by Molmil](/molmil-images/mine/5wl4) | Crystal structure of chalcone isomerase engineered from ancestral inference (ancR3) | Descriptor: | Engineered Chalcone Isomerase ancR3, 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 (2 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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2BJM
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![BU of 2bjm by Molmil](/molmil-images/mine/2bjm) | 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
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5HQ3
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![BU of 5hq3 by Molmil](/molmil-images/mine/5hq3) | 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
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6MS8
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![BU of 6ms8 by Molmil](/molmil-images/mine/6ms8) | 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
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5C2M
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![BU of 5c2m by Molmil](/molmil-images/mine/5c2m) | 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
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5C2N
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![BU of 5c2n by Molmil](/molmil-images/mine/5c2n) | 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | De Novo Evolutionary Emergence of a Symmetrical Protein Is Shaped by Folding Constraints. Cell, 164, 2016
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1V04
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![BU of 1v04 by Molmil](/molmil-images/mine/1v04) | 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
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3A3W
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![BU of 3a3w by Molmil](/molmil-images/mine/3a3w) | 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
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3GKL
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3GJN
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3A3X
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![BU of 3a3x by Molmil](/molmil-images/mine/3a3x) | 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
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5WL6
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![BU of 5wl6 by Molmil](/molmil-images/mine/5wl6) | 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
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5WL3
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![BU of 5wl3 by Molmil](/molmil-images/mine/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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5WKS
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![BU of 5wks by Molmil](/molmil-images/mine/5wks) | 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
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5WL5
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![BU of 5wl5 by Molmil](/molmil-images/mine/5wl5) | 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
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5WL7
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![BU of 5wl7 by Molmil](/molmil-images/mine/5wl7) | 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
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3IIV
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3IIO
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3IIP
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3KIH
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![BU of 3kih by Molmil](/molmil-images/mine/3kih) | The crystal structures of two fragments truncated from 5-bladed beta-propeller lectin, tachylectin-2 (Lib2-D2-15) | Descriptor: | 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, 5-bladed beta-propeller lectin | Authors: | Dym, O, Tawfik, D.S, Yadid, I, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2009-11-02 | Release date: | 2010-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Metamorphic proteins mediate evolutionary transitions of structure Proc.Natl.Acad.Sci.USA, 107, 2010
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3KIF
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![BU of 3kif by Molmil](/molmil-images/mine/3kif) | The crystal structures of two fragments truncated from 5-bladed beta-propeller lectin, tachylectin-2 (Lib1-B7-18 and Lib2-D2-15) | Descriptor: | 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, 5-bladed beta-propeller lectin, SULFATE ION | Authors: | Dym, O, Tawfik, D.S, Yadid, I, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2009-11-02 | Release date: | 2010-04-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Metamorphic proteins mediate evolutionary transitions of structure Proc.Natl.Acad.Sci.USA, 107, 2010
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