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2FCH
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BU of 2fch by Molmil
Crystal Structure of Thioredoxin Mutant G74S
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin 1
著者Gavira, J.A, Perez-Jimenez, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2005-12-12
公開日2005-12-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Thioredoxin Mutant G74S
To be Published
2K6R
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BU of 2k6r by Molmil
Protein folding on a highly rugged landscape: Experimental observation of glassy dynamics and structural frustration
分子名称: Full Sequence Design 1 Synthetic Superstable
著者Sadqi, M, de Alba, E, Perez-Jimenez, R, Sanchez-Ruiz, J.M, Munoz, V.
登録日2008-07-18
公開日2009-06-16
最終更新日2016-06-08
実験手法SOLUTION NMR
主引用文献A designed protein as experimental model of primordial folding
Proc.Natl.Acad.Sci.USA, 106, 2009
4C75
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BU of 4c75 by Molmil
Consensus (ALL-CON) beta-lactamase class A
分子名称: ACETATE ION, BETA-LACTAMASE, DI(HYDROXYETHYL)ETHER, ...
著者Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M.
登録日2013-09-19
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: ACETATE ION, BETA-LACTAMASE, CHLORIDE ION, ...
著者Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M.
登録日2013-09-19
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Phenotypic Comparisons of Consensus Variants Versus Laboratory Resurrections of Precambrian Proteins.
Proteins, 82, 2014
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)
分子名称: ACETATE ION, Beta-Lactamase (GNCA4), FORMIC ACID, ...
著者Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L.
登録日2020-01-13
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献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)
分子名称: ACETATE ION, Beta lactamase (GNCA4-12), FORMIC ACID, ...
著者Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L.
登録日2020-01-14
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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)
分子名称: 6-NITROBENZOTRIAZOLE, ACETATE ION, Beta lactamase (GNCA4-2), ...
著者Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L, Ortega-Munoz, M, Santoyo-Gonzalez, F.
登録日2020-01-15
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020
5FQM
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BU of 5fqm by Molmil
Last common ancestor of Gram Negative Bacteria (GNCA) Class A beta- lactamase
分子名称: GLYCEROL, GNCA BETA LACTAMASE, SULFATE ION
著者Martinez Rodriguez, S, Gavira, J.A, Risso, V.A, Sanchez Ruiz, J.M.
登録日2015-12-12
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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
分子名称: 1,2-ETHANEDIOL, LBCA THIOREDOXIN
著者Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
登録日2012-09-12
公開日2013-08-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
5FQQ
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BU of 5fqq by Molmil
Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE
著者Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M.
登録日2015-12-14
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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)
分子名称: 6-NITROBENZOTRIAZOLE, GNCA4 LACTAMASE W229D AND F290W
著者Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
登録日2015-12-11
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.767 Å)
主引用文献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)
分子名称: 6-NITROBENZOTRIAZOLE, GNCA LACTAMASE W229D
著者Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M.
登録日2015-12-11
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.271 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
登録日2015-12-11
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
4B88
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BU of 4b88 by Molmil
Ancestral (GNCA) Beta-lactamase class A
分子名称: BETA-LACTAMASE, FORMIC ACID
著者Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M.
登録日2012-08-24
公開日2013-02-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Hyperstability and Substrate Promiscuity in Laboratory Resurrections of Precambrian Beta-Lactamases.
J.Am.Chem.Soc., 135, 2013
6QIY
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BU of 6qiy by Molmil
CI-2, conformation 1
分子名称: Subtilisin-chymotrypsin inhibitor-2A
著者Romero, A, Ruiz, F.M.
登録日2019-01-21
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Engineering protein assemblies with allosteric control via monomer fold-switching.
Nat Commun, 10, 2019
6QIZ
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BU of 6qiz by Molmil
CI-2, conformation 2
分子名称: Subtilisin-chymotrypsin inhibitor-2A
著者Romero, A, Ruiz, F.M.
登録日2019-01-21
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Engineering protein assemblies with allosteric control via monomer fold-switching.
Nat Commun, 10, 2019
2YJ7
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BU of 2yj7 by Molmil
Crystal structure of a hyperstable protein from the Precambrian period
分子名称: LPBCA THIOREDOXIN, SODIUM ION
著者Gavira, J.A, Ingles, A, Ibarra, B, Garcia-Ruiz, J.M.
登録日2011-05-19
公開日2012-05-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Conservation of Protein Structure Over Four Billion Years
Structure, 21, 2013
4HHP
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BU of 4hhp by Molmil
Crystal structure of triosephosphate isomerase from trypanosoma cruzi, mutant e105d
分子名称: GLYCEROL, SULFATE ION, Triosephosphate isomerase, ...
著者Hernandez-Santoyo, A, Aguirre-Fuentes, Y, Torres-Larios, A, Gomez-Puyou, A, De Gomez-Puyou, M.T.
登録日2012-10-10
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Different contribution of conserved amino acids to the global properties of triosephosphate isomerases.
Proteins, 82, 2014
4JEQ
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BU of 4jeq by Molmil
Different Contribution of Conserved Amino Acids to the Global Properties of Homologous Enzymes
分子名称: DI(HYDROXYETHYL)ETHER, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE, ...
著者Hernandez-Santoyo, A, Aguirre-Fuentes, Y, Torres-Larios, A, Gomez-Puyou, A, De Gomez-Puyou, M.T.
登録日2013-02-27
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Different contribution of conserved amino acids to the global properties of triosephosphate isomerases.
Proteins, 82, 2014
4CBR
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BU of 4cbr by Molmil
X-ray structure of the more stable human AGXT triple mutant (AGXT_HEM)
分子名称: GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, SERINE--PYRUVATE AMINOTRANSFERASE
著者Yunta, C, Albert, A.
登録日2013-10-16
公開日2014-07-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Consensus-Based Approach for Gene/Enzyme Replacement Therapies and Crystallization Strategies: The Case of Human Alanine:Glyoxylate Aminotransferase.
Biochem.J., 462, 2014
4CBS
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BU of 4cbs by Molmil
X-ray structure of quintuple mutant of human alanine glyoxylate aminotransferase, AGXT_RHEAM
分子名称: PYRIDOXAL-5'-PHOSPHATE, SERINE--PYRUVATE AMINOTRANSFERASE
著者Yunta, C, Albert, A.
登録日2013-10-16
公開日2014-07-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Consensus-Based Approach for Gene/Enzyme Replacement Therapies and Crystallization Strategies: The Case of Human Alanine:Glyoxylate Aminotransferase.
Biochem.J., 462, 2014
1R4Y
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BU of 1r4y by Molmil
SOLUTION STRUCTURE OF THE DELETION MUTANT DELTA(7-22) OF THE CYTOTOXIC RIBONUCLEASE ALPHA-SARCIN
分子名称: Ribonuclease alpha-sarcin
著者Garcia-Mayoral, M.F, Garcia-Ortega, L, Lillo, M.P, Santoro, J, Martinez Del Pozo, A, Gavilanes, J.G, Rico, M, Bruix, M.
登録日2003-10-09
公開日2004-04-06
最終更新日2021-10-27
実験手法SOLUTION NMR
主引用文献NMR structure of the noncytotoxic {alpha}-sarcin mutant {Delta}(7-22): The importance of the native conformation of peripheral loops for activity.
Protein Sci., 13, 2004
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