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6Z1H
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BU of 6z1h by Molmil
Ancestral glycosidase (family 1)
Descriptor: ANCESTRAL RECONSTRUCTED GLYCOSIDASE, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Hoshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A.
Deposit date:2020-05-13
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.
Nat Commun, 12, 2021
6Z1M
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BU of 6z1m by Molmil
Structure of an Ancestral glycosidase (family 1) bound to heme
Descriptor: 1,2-ETHANEDIOL, Ancestral reconstructed glycosidase, GLYCEROL, ...
Authors:Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Oshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A.
Deposit date:2020-05-14
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.
Nat Commun, 12, 2021
7OOL
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BU of 7ool by Molmil
Crystal structure of a Candidatus photodesmus katoptron thioredoxin chimera containing an ancestral loop
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Gavira, J.A, Ibarra-Molero, B, Gamiz-Arco, G, Risso, V, Sanchez-Ruiz, J.M.
Deposit date:2021-05-28
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Combining Ancestral Reconstruction with Folding-Landscape Simulations to Engineer Heterologous Protein Expression.
J.Mol.Biol., 433, 2021
1ZZY
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BU of 1zzy by Molmil
Crystal Structure of Thioredoxin Mutant L7V
Descriptor: Thioredoxin 1
Authors:Gavira, J.A, Perez-Jimenez, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2005-06-15
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Thioredoxin Mutant L7V
To be Published
4UHU
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BU of 4uhu by Molmil
W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase class A
Descriptor: ACETATE ION, FORMIC ACID, GNCA LACTAMASE W229D
Authors:Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
Deposit date:2015-03-25
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.305 Å)
Cite:De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
4ULX
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BU of 4ulx by Molmil
Crystal structure of ancestral thioredoxin, relative to the last common ancestor of the Cyanobacterial, Deinococcus and Thermus groups, LPBCA-L89K mutant.
Descriptor: CHLORIDE ION, LPBCA-L89K THIOREDOXIN
Authors:Gavira, J.A, Risso, V.A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2014-05-14
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mutational Studies on Resurrected Ancestral Proteins Reveal Conservation of Site-Specific Amino Acid Preferences Throughout Evolutionary History.
Mol.Biol.Evol., 32, 2015
3ZHC
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BU of 3zhc by Molmil
Structure of the phytase from Citrobacter braakii at 2.3 angstrom resolution.
Descriptor: CHLORIDE ION, FORMIC ACID, PHYTASE
Authors:Wilson, K.S, Ariza, A, Sanchez-Romero, I, Skjot, M, Vind, J, DeMaria, L, Skov, L.K, Sanchez-Ruiz, J.M.
Deposit date:2012-12-20
Release date:2013-08-28
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of Protein Kinetic Stabilization by Engineered Disulfide Crosslinks
Plos One, 8, 2013
6YRS
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BU of 6yrs by Molmil
Structure of a new variant of GNCA ancestral beta-lactamase
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Gavira, J.A, Risso, V, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M, Modi, T, Ozkan, S.B.
Deposit date:2020-04-20
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Hinge-shift mechanism as a protein design principle for the evolution of beta-lactamases from substrate promiscuity to specificity.
Nat Commun, 12, 2021
2YPM
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BU of 2ypm by Molmil
Crystal Structure of Ancestral Thioredoxin Relative to Last Animal and Fungi Common Ancestor (LAFCA) from the Precambrian Period
Descriptor: LAFCA THIOREDOXIN
Authors:Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2012-10-30
Release date:2013-08-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
2YN1
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BU of 2yn1 by Molmil
Crystal Structure of Ancestral Thioredoxin Relative to Last Gamma- Proteobacteria Common Ancestor (LGPCA) from the Precambrian Period
Descriptor: LGPCA THIOREDOXIN, TRIETHYLENE GLYCOL
Authors:Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2012-10-11
Release date:2013-08-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
2YNX
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BU of 2ynx by Molmil
Crystal Structure of Ancestral Thioredoxin Relative to Last Archaea Common Ancestor (LACA) from the Precambrian Period
Descriptor: ACETATE ION, LACA THIOREDOXIN, SODIUM ION
Authors:Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2012-10-19
Release date:2013-08-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
2YOI
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BU of 2yoi by Molmil
Crystal Structure of Ancestral Thioredoxin Relative to Last Eukaryotes Common Ancestor (LECA) from the Precambrian Period
Descriptor: ACETATE ION, CHLORIDE ION, LECA THIOREDOXIN, ...
Authors:Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2012-10-24
Release date:2013-08-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Conservation of protein structure over four billion years.
Structure, 21, 2013
6TWW
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BU of 6tww by Molmil
Variant W229D/F290W-19 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4)
Descriptor: ACETATE ION, Beta-Lactamase (GNCA4), FORMIC ACID, ...
Authors:Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L.
Deposit date:2020-01-13
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020
6TXD
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BU of 6txd by Molmil
Variant W229D/F290W-12 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4)
Descriptor: ACETATE ION, Beta lactamase (GNCA4-12), FORMIC ACID, ...
Authors:Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L.
Deposit date:2020-01-14
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020
6TY6
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BU of 6ty6 by Molmil
Variant W229D/F290W-2 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) bound to 5(6)-nitrobenzotriazole (TS-analog)
Descriptor: 6-NITROBENZOTRIAZOLE, ACETATE ION, Beta lactamase (GNCA4-2), ...
Authors:Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L, Ortega-Munoz, M, Santoyo-Gonzalez, F.
Deposit date:2020-01-15
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020
4C75
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BU of 4c75 by Molmil
Consensus (ALL-CON) beta-lactamase class A
Descriptor: ACETATE ION, BETA-LACTAMASE, DI(HYDROXYETHYL)ETHER, ...
Authors:Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M.
Deposit date:2013-09-19
Release date:2014-04-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Phenotypic Comparisons of Consensus Variants Versus Laboratory Resurrections of Precambrian Proteins.
Proteins, 82, 2014
4C6Y
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BU of 4c6y by Molmil
Ancestral PNCA (last common ancestors of Gram-positive and Gram- negative bacteria) beta-lactamase class A
Descriptor: ACETATE ION, BETA-LACTAMASE, CHLORIDE ION, ...
Authors:Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M.
Deposit date:2013-09-19
Release date:2014-04-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Phenotypic Comparisons of Consensus Variants Versus Laboratory Resurrections of Precambrian Proteins.
Proteins, 82, 2014
5FQK
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BU of 5fqk by Molmil
W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A bound to 5(6)-nitrobenzotriazole (TS-analog)
Descriptor: 6-NITROBENZOTRIAZOLE, GNCA4 LACTAMASE W229D AND F290W
Authors:Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
Deposit date:2015-12-11
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.767 Å)
Cite:De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5FQI
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BU of 5fqi by Molmil
W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
Deposit date:2015-12-11
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5FQJ
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BU of 5fqj by Molmil
W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase bound to 5(6)-nitrobenzotriazole (TS-analog)
Descriptor: 6-NITROBENZOTRIAZOLE, GNCA LACTAMASE W229D
Authors:Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M.
Deposit date:2015-12-11
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.271 Å)
Cite:De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5FQQ
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BU of 5fqq by Molmil
Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE
Authors:Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
3ZIV
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BU of 3ziv by Molmil
Crystal Structure of Ancestral Thioredoxin Relative to last Archaea- Eukaryotes Common Ancestor (AECA) from the Precambrian Period
Descriptor: AECA THIOREDOXIN
Authors:Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2013-01-11
Release date:2013-08-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
4BA7
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BU of 4ba7 by Molmil
Crystal Structure of Ancestral Thioredoxin Relative to Last Bacteria Common Ancestor (LBCA) from the Precambrian Period
Descriptor: 1,2-ETHANEDIOL, LBCA THIOREDOXIN
Authors:Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2012-09-12
Release date:2013-08-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
2H71
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BU of 2h71 by Molmil
Crystal Structure of Thioredoxin Mutant D47E in Hexagonal (p61) Space Group
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin
Authors:Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2006-06-01
Release date:2007-05-15
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Thioredoxin Mutant D47E in Hexagonal (p61) Space Group
To be Published
2H6Y
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BU of 2h6y by Molmil
Crystal Structure of Thioredoxin Mutant E48D in Hexagonal (p61) Space Group
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin
Authors:Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2006-06-01
Release date:2007-05-15
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Thioredoxin Mutant E48D in Hexagonal (p61) Space Group
To be Published

 

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