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5WL6
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BU of 5wl6 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (AncR7)
分子名称: CHLORIDE ION, Engineered Chalcone Isomerase AncR7
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
6E8Y
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BU of 6e8y by Molmil
Unliganded Human Glycerol 3-Phosphate Dehydrogenase
分子名称: 2,2-bis(hydroxymethyl)propane-1,3-diol, Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic, ...
著者Mydy, L.S, Gulick, A.M.
登録日2018-07-31
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies.
Biochemistry, 58, 2019
6E90
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BU of 6e90 by Molmil
Ternary complex of human glycerol 3-phosphate dehydrogenase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, CALCIUM ION, ...
著者Mydy, L.S, Gulick, A.M.
登録日2018-07-31
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies.
Biochemistry, 58, 2019
5NIW
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BU of 5niw by Molmil
Glucose oxydase mutant A2
分子名称: 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Hoffmann, K, Frank, D.
登録日2017-03-27
公開日2017-11-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase.
ACS Catal, 7, 2017
6FWK
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BU of 6fwk by Molmil
The crystal structure of Pol2CORE-M644G in complex with DNA and an incoming nucleotide
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*TP*AP*AP*CP*CP*GP*CP*GP*TP*TP*(DOC))-3'), ...
著者Parkash, V, Johansson, E.
登録日2018-03-06
公開日2019-01-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Structural consequence of the most frequently recurring cancer-associated substitution in DNA polymerase epsilon.
Nat Commun, 10, 2019
5NIT
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BU of 5nit by Molmil
Glucose oxidase mutant A2
分子名称: 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Hoffmann, K.
登録日2017-03-27
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase.
ACS Catal, 7, 2017
6G82
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BU of 6g82 by Molmil
Serum paraoxonase-1 by directed evolution with the L69S/H115W/F222S mutations
分子名称: CALCIUM ION, Serum paraoxonase-1 by directed evolution with the L69S/H115W/F222S mutations
著者Ben-David, M, Sussman, J.L, Tawfik, D.S.
登録日2018-04-07
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
6FG0
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BU of 6fg0 by Molmil
Crystal structure of R. ruber ADH-A, mutant Y54G, F43T, L119Y, F282W
分子名称: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
著者Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M.
登録日2018-01-09
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Stereo- and Regioselectivity in Catalyzed Transformation of a 1,2-Disubstituted Vicinal Diol and the Corresponding Diketone by Wild Type and Laboratory Evolved Alcohol Dehydrogenases
Acs Catalysis, 8, 2018
6E8Z
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BU of 6e8z by Molmil
Binary complex of Human glycerol 3-phosphate dehydrogenase with NAD
分子名称: 1,2-ETHANEDIOL, Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic, ...
著者Mydy, L.S, Gulick, A.M.
登録日2018-07-31
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies.
Biochemistry, 58, 2019
6G0A
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BU of 6g0a by Molmil
The crystal structure of the Pol2 catalytic domain of DNA polymerase epsilon carrying a P301R substitution.
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*TP*AP*AP*CP*CP*GP*CP*GP*TP*TP*DC)-3'), ...
著者Parkash, V, Johansson, E.
登録日2018-03-16
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural consequence of the most frequently recurring cancer-associated substitution in DNA polymerase epsilon.
Nat Commun, 10, 2019
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
5FQM
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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
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
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
7Z6R
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BU of 7z6r by Molmil
Psychrobacter arcticus ATPPRT (HisGZ) R56A mutant bound to ATP and PRPP
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ...
著者Alphey, M.S, Fisher, G, da Silva, R.G.
登録日2022-03-14
公開日2022-03-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation.
Nat Commun, 13, 2022
7Z8U
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BU of 7z8u by Molmil
Catalytic subunit HisG R56A mutant from Psychrobacter arcticus ATPPRT (HisGZ) in complex with ATP and PRPP
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ...
著者Alphey, M.S, Fisher, G, da Silva, R.G.
登録日2022-03-18
公開日2022-03-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation.
Nat Commun, 13, 2022
4CXU
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BU of 4cxu by Molmil
G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with 3-Br-Phenolphenylphosphonate
分子名称: 3-bromophenyl hydrogen (S)-phenylphosphonate, ARYLSULFATASE, CALCIUM ION
著者Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2014-04-08
公開日2015-04-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4CYS
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BU of 4cys by Molmil
G6 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with Phenylphosphonic acid
分子名称: AMMONIUM ION, ARYLSULFATASE, CALCIUM ION, ...
著者Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2014-04-14
公開日2015-04-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7L0C
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BU of 7l0c by Molmil
Ligand-free PTP1B T177G
分子名称: Tyrosine-protein phosphatase non-receptor type 1
著者Shen, R.D, Hengge, A.C, Johnson, S.J.
登録日2020-12-11
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Jacs Au, 1, 2021
7L0H
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BU of 7l0h by Molmil
Vanadate-bound PTP1B T177G
分子名称: Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION
著者Shen, R.D, Hengge, A.C, Johnson, S.J.
登録日2020-12-11
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Jacs Au, 1, 2021
4CXK
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G9 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
分子名称: ARYLSULFATASE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2014-04-07
公開日2015-04-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4CXS
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BU of 4cxs by Molmil
G4 mutant of PAS, arylsulfatase from Pseudomonas aeruginosa, in complex with Phenylphosphonic acid
分子名称: ARYLSULFATASE, CALCIUM ION, SULFATE ION, ...
著者Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2014-04-08
公開日2015-05-13
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4CYR
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BU of 4cyr by Molmil
G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
分子名称: ARYLSULFATASE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2014-04-14
公開日2015-04-29
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7L0M
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Vanadate-bound YopH G352T
分子名称: Protein-tyrosine-phosphatase, VANADATE ION
著者Shen, R.D, Hengge, A.C, Johnson, S.J.
登録日2020-12-11
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Jacs Au, 1, 2021

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