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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
4F18
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BU of 4f18 by Molmil
Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with arsenate at pH 8.5
Descriptor: Putative alkaline phosphatase, hydrogen arsenate
Authors:Elias, M, Wellner, A, Goldin, K, Chabriere, E, Tawfik, D.S.
Deposit date:2012-05-06
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:The molecular basis of phosphate discrimination in arsenate-rich environments.
Nature, 491, 2012
4F19
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BU of 4f19 by Molmil
Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with arsenate at pH 4.5
Descriptor: Putative alkaline phosphatase, hydrogen arsenate
Authors:Elias, M, Wellner, A, Goldin, K, Chabriere, E, Tawfik, D.S.
Deposit date:2012-05-06
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:The molecular basis of phosphate discrimination in arsenate-rich environments.
Nature, 491, 2012
4F1V
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BU of 4f1v by Molmil
Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with phosphate at pH 8.5
Descriptor: HYDROGENPHOSPHATE ION, Putative alkaline phosphatase, SULFATE ION
Authors:Liebschner, D, Elias, M, Tawfik, D.S, Moniot, S, Fournier, B, Scott, K, Jelsch, C, Guillot, B, Lecomte, C, Chabriere, E.
Deposit date:2012-05-07
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.88 Å)
Cite:The molecular basis of phosphate discrimination in arsenate-rich environments.
Nature, 491, 2012
4F1U
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BU of 4f1u by Molmil
Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with phosphate at pH 4.5
Descriptor: 1,2-ETHANEDIOL, HYDROGENPHOSPHATE ION, Putative alkaline phosphatase, ...
Authors:Liebschner, D, Elias, M, Tawfik, D.S, Moniot, S, Fournier, B, Scott, K, Jelsch, C, Guillot, B, Lecomte, C, Chabriere, E.
Deposit date:2012-05-07
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:The molecular basis of phosphate discrimination in arsenate-rich environments.
Nature, 491, 2012
4GY1
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BU of 4gy1 by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase with Bound Cacodylate
Descriptor: CACODYLATE ION, ZINC ION, arylesterase variant of phosphotriesterase
Authors:Jackson, C.J, Tokuriki, N, Tawfik, D.S.
Deposit date:2012-09-05
Release date:2013-08-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: ZINC ION, arylesterase variant of phosphotriesterase
Authors:Jackson, C.J, Tokuriki, N, Tawfik, D.S.
Deposit date:2012-09-05
Release date:2013-08-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme
Nat Commun, 3, 2012
3UYC
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BU of 3uyc by Molmil
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
3UXD
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BU of 3uxd by Molmil
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
3UY7
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BU of 3uy7 by Molmil
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
3UXA
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BU of 3uxa by Molmil
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
3UZ5
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BU of 3uz5 by Molmil
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
3UZJ
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BU of 3uzj by Molmil
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
3UY8
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BU of 3uy8 by Molmil
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
3IIV
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BU of 3iiv by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE7 KE7_R7_1/3H, MAGNESIUM ION
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
3IIO
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BU of 3iio by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE07
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
3IIP
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BU of 3iip by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE7 R6 3/7F, POLYETHYLENE GLYCOL (N=34)
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
3KIH
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BU of 3kih by Molmil
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
3KIF
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BU of 3kif by Molmil
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
3NQ8
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BU of 3nq8 by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R4 8/5A
Descriptor: BENZAMIDINE, NITRATE ION, deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NPV
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BU of 3npv by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution
Descriptor: deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NQ2
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BU of 3nq2 by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R2 3/5G
Descriptor: IMIDAZOLE, deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NR0
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BU of 3nr0 by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R6 6/10A
Descriptor: deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-30
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NPX
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BU of 3npx by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution
Descriptor: deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
6CJO
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BU of 6cjo by Molmil
Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95S mutation.
Descriptor: Chalcone--flavonone isomerase 1, SULFATE ION
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:2018-02-26
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019

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