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5C8V
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BU of 5c8v by Molmil
Lucilia cuprina alpha esterase 7: Gly137Asp
分子名称: Carboxylic ester hydrolase
著者Correy, G.J, Mabbitt, P.D, Jackson, C.J.
登録日2015-06-26
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Conformational Disorganization within the Active Site of a Recently Evolved Organophosphate Hydrolase Limits Its Catalytic Efficiency.
Biochemistry, 55, 2016
5CH3
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BU of 5ch3 by Molmil
E3 alpha-esterase-7 carboxylesterase
分子名称: Carboxylic ester hydrolase
著者Correy, G, Mabbitt, P, Jackson, C.J.
登録日2015-07-10
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
5CH5
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BU of 5ch5 by Molmil
E3 alpha-esterase-7 carboxylesterase
分子名称: Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE
著者Correy, G, Mabbitt, P, Jackson, C.J.
登録日2015-07-10
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
5EH9
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BU of 5eh9 by Molmil
Indirect contributions of mutations underlie optimization of new enzyme function
分子名称: 2-HYDROXYETHYL DISULFIDE, GLYCEROL, N-acyl homoserine lactonase AiiA, ...
著者Hong, N.-S, Jackson, C.J, Tokuriki, N, Yang, G, Baier, F.
登録日2015-10-28
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects.
Biochemistry, 55, 2016
5DQ6
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BU of 5dq6 by Molmil
Mus musculus A20 OTU domain
分子名称: Tumor necrosis factor alpha-induced protein 3
著者Mabbitt, P.D, Jackson, C.J.
登録日2015-09-14
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mus musculus A20 OTU domain
To Be Published
6WUP
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BU of 6wup by Molmil
Crystal structure of an ancestral cyclohexadienyl dehydratase, AncCDT-5
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ancestral cyclohexadienyl dehydratase, AncCDT-5, ...
著者Kaczmarski, J.A, Mahawaththa, M.C.
登録日2020-05-05
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Altered conformational sampling along an evolutionary trajectory changes the catalytic activity of an enzyme.
Nat Commun, 11, 2020
6N4A
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BU of 6n4a by Molmil
PII-like SbtB from Cyanobium sp PCC 7001 (apo)
分子名称: PHOSPHATE ION, PII-like SbtB
著者Kaczmarski, J.A, Jackson, C.J.
登録日2018-11-18
公開日2019-09-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
6NTB
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PII-like SbtB from Cyanobium sp PCC 7001 bound to ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, SbtB7001, ...
著者Kaczmarski, J.A, Jackson, C.J.
登録日2019-01-28
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
8D4W
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BU of 8d4w by Molmil
Asymmetric ene-reduction of alpha,beta-unsaturated compounds using MSMEG_2850
分子名称: Cell entry (Mce) related family protein, DI(HYDROXYETHYL)ETHER, GLYCEROL
著者Kang, S.W, Frkic, R.L, Jackson, C.
登録日2022-06-02
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Asymmetric Ene-Reduction of alpha , beta-Unsaturated Compounds by F 420 -Dependent Oxidoreductases A Enzymes from Mycobacterium smegmatis .
Biochemistry, 62, 2023
8KD0
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BU of 8kd0 by Molmil
Crystal structure of SAR11_0769 from 'Candidatus Pelagibacter ubique' HTCC1062 bound to a co-purified ligand, beta-galactopyranose
分子名称: Probable binding protein component of ABC sugar transporter, beta-D-galactopyranose
著者Clifton, B.E, Laurino, P.
登録日2023-08-08
公開日2024-07-17
実験手法X-RAY DIFFRACTION (1.675 Å)
主引用文献Crystal structure of SAR11_0769 from 'Candidatus Pelagibacter ubique' HTCC1062 bound to a co-purified ligand, beta-galactopyranose
To Be Published
8CRU
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BU of 8cru by Molmil
PETase Ancestral Sequence Reconstruction 008
分子名称: CITRIC ACID, Poly(ethylene terephthalate) hydrolase
著者Joho, Y, Royan, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
登録日2022-05-11
公開日2022-09-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Ancestral Sequence Reconstruction Identifies Structural Changes Underlying the Evolution of Ideonella sakaiensis PETase and Variants with Improved Stability and Activity.
Biochemistry, 62, 2023
7OQ6
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BU of 7oq6 by Molmil
Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
著者Zhang, L, Zhang, S, Bechthold, A, Einsle, O.
登録日2021-06-02
公開日2022-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate.
Acta Pharm Sin B, 13, 2023
6M7L
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BU of 6m7l by Molmil
Complex of OxyA with the X-domain from GPA biosynthesis
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase, Putative non-ribosomal peptide synthetase
著者Greule, A, Izore, T, Tailhades, J, Peschke, M, Schoppet, M, Ahmed, I, Kulik, A, Adamek, M, Ziemert, N, De Voss, J, Stegmann, E, Cryle, M.J.
登録日2018-08-20
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.648297 Å)
主引用文献Kistamicin biosynthesis reveals the biosynthetic requirements for production of highly crosslinked glycopeptide antibiotics.
Nat Commun, 10, 2019
8FX7
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BU of 8fx7 by Molmil
Non-ribosomal PCP-C didomain (ester stabilised leucine) acceptor bound state
分子名称: 2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate, PCP-C didomain
著者Ho, Y.T.C, Cryle, M.J.
登録日2023-01-24
公開日2023-06-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
8G3I
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BU of 8g3i by Molmil
Non-ribosomal PCP-C didomain (thioether stabilised glycolic acid) acceptor bound state
分子名称: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
著者Ho, Y.T.C, Izore, T, Cryle, M.J.
登録日2023-02-08
公開日2023-06-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8G3J
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BU of 8g3j by Molmil
Non-ribosomal PCP-C didomain R2577G (thioether stabilised glycolic acid) acceptor bound state
分子名称: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
著者Ho, Y.T.C, Izore, T, Cryle, M.J.
登録日2023-02-08
公開日2023-06-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8FX6
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BU of 8fx6 by Molmil
Non-ribosomal PCP-C didomain (amide stabilised leucine) acceptor bound state
分子名称: N-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]-L-leucinamide, PCP-C didomain
著者Ho, Y.T.C, Cryle, M.J.
登録日2023-01-24
公開日2023-06-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
5V3B
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BU of 5v3b by Molmil
Human A20 OTU domain (WT) with acetamidylated C103
分子名称: Tumor necrosis factor alpha-induced protein 3
著者Langley, D.B, Christ, D, Grey, S.
登録日2017-03-07
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity.
Nat.Immunol., 20, 2019
5V3P
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BU of 5v3p by Molmil
Human A20 OTU domain (I325N) with acetamidylated C103
分子名称: Tumor necrosis factor alpha-induced protein 3
著者Langley, D.B, Christ, D, Grey, S.
登録日2017-03-07
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity.
Nat.Immunol., 20, 2019
5IKX
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BU of 5ikx by Molmil
Crystal structure of the alpha-esterase-7 carboxyl esterase (dimer), E3, from Lucilia cuprina
分子名称: Carboxylic ester hydrolase
著者Jackson, C, Fraser, N.
登録日2016-03-04
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Evolution of Protein Quaternary Structure in Response to Selective Pressure for Increased Thermostability.
J.Mol.Biol., 428, 2016
5K4M
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BU of 5k4m by Molmil
Directed evolutionary changes in MBL super family - NDM-1 Round 10 crystal-3
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Metallo-beta-lactamase type 2, ...
著者Hong, N.-S, Jackson, C.J, Carr, P.D.
登録日2016-05-20
公開日2017-04-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Enzyme evolvability is contingent on the initial sequence background
To Be Published
5JQJ
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BU of 5jqj by Molmil
Directed evolutionary changes in MBL super family - NDM-1 Round 10 crystal-1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Metallo-beta-lactamase type 2, ...
著者Hong, N.-S, Jackson, C.J, Carr, P.D.
登録日2016-05-05
公開日2017-05-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Enzyme evolvability is contingent on the initial sequence background
To Be Published
8BON
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BU of 8bon by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with the macrocyclic peptide S1B3inL1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrocyclic peptide S1B3inL1, ...
著者Hurdiss, D.L.
登録日2022-11-15
公開日2023-06-28
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A broad-spectrum macrocyclic peptide inhibitor of the SARS-CoV-2 spike protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
3IIV
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BU of 3iiv by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
分子名称: KE7 KE7_R7_1/3H, MAGNESIUM ION
著者Khersonsky, O, Dym, O, Tawfik, D.S.
登録日2009-08-03
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: KE07
著者Khersonsky, O, Dym, O, Tawfik, D.S.
登録日2009-08-03
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010

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件を2024-08-07に公開中

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