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7C7I
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BU of 7c7i by Molmil
Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(E30D,K31E)
Descriptor: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xiao, L.X, Pan, L.F.
Deposit date:2020-05-25
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3.
Chin.J.Chem., 38, 2020
6A0D
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BU of 6a0d by Molmil
The crystal structure of Mandelate oxidase mutant Y128F with (S)-2-phenylpropanoic acid
Descriptor: (2~{S})-2-phenylpropanoic acid, 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Biochemical and structural explorations of alpha-hydroxyacid oxidases reveal a four-electron oxidative decarboxylation reaction.
Acta Crystallogr D Struct Biol, 75, 2019
6A0O
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BU of 6a0o by Molmil
Mandelate oxidase mutant-Y128F with benzaldehyde
Descriptor: 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE, benzaldehyde
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-06
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biochemical and structural explorations of alpha-hydroxyacid oxidases reveal a four-electron oxidative decarboxylation reaction.
Acta Crystallogr D Struct Biol, 75, 2019
6A0Y
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BU of 6a0y by Molmil
Mandelate oxidase mutant-Y128F with Benzoic acid
Descriptor: 4-hydroxymandelate oxidase, BENZOIC ACID, FLAVIN MONONUCLEOTIDE
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-06
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and structural explorations of alpha-hydroxyacid oxidases reveal a four-electron oxidative decarboxylation reaction.
Acta Crystallogr D Struct Biol, 75, 2019
6A1H
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BU of 6a1h by Molmil
Mandelate oxidase mutant-Y128F with 5-deazariboflavin mononucleotide
Descriptor: 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol, 4-hydroxymandelate oxidase
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-07
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Acta Crystallogr D Struct Biol, 75, 2019
6A0M
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BU of 6a0m by Molmil
Mandelate oxidase mutant-Y128F with 2-Phenylacetic acid
Descriptor: 2-PHENYLACETIC ACID, 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Biochemical and structural explorations of alpha-hydroxyacid oxidases reveal a four-electron oxidative decarboxylation reaction.
Acta Crystallogr D Struct Biol, 75, 2019
6A1L
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BU of 6a1l by Molmil
Mandelate oxidase mutant-Y128F with 5-deazariboflavin mononucleotide and benzoic acid
Descriptor: 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol, 4-hydroxymandelate oxidase, BENZOIC ACID, ...
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-07
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Acta Crystallogr D Struct Biol, 75, 2019
6A1R
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BU of 6a1r by Molmil
Mandelate oxidase mutant-Y128F with the N5-phenylacetyl-FMN adduct
Descriptor: 1-deoxy-1-[7,8-dimethyl-2,4-dioxo-5-(phenylacetyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol, 4-hydroxymandelate oxidase, MAGNESIUM ION
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-08
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.652 Å)
Cite:The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Acta Crystallogr D Struct Biol, 75, 2019
6A3T
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BU of 6a3t by Molmil
The crystal structure of Mandelate oxidase R163L with 2-hydroxy-phenylacetamide
Descriptor: 1-{5-[(1S)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-5-O-phosphono-D-ribitol, 4-hydroxymandelate oxidase
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-16
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.511 Å)
Cite:The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Acta Crystallogr D Struct Biol, 75, 2019
7EUE
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BU of 7eue by Molmil
Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis.
Descriptor: 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, Cupin domain-containing protein, FE (III) ION
Authors:Li, T.L, Li, Y.S, Chen, M.H.
Deposit date:2021-05-17
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08757067 Å)
Cite:Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Acs Catalysis, 12, 2022
7EUZ
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BU of 7euz by Molmil
Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis.
Descriptor: (2S,3R)-2-azanyl-3-(1H-indol-3-yl)butanoic acid, Cupin domain-containing protein, FE (III) ION, ...
Authors:Li, T.L, Li, Y.S, Chen, M.H.
Deposit date:2021-05-19
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91028166 Å)
Cite:Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Acs Catalysis, 12, 2022
7F6X
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BU of 7f6x by Molmil
Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis.
Descriptor: 1H-INDOLE-3-CARBALDEHYDE, Cupin domain-containing protein, FE (III) ION, ...
Authors:Li, T.L, Li, Y.S, Chen, M.H.
Deposit date:2021-06-26
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural and Mechanistic Bases for StnK3 and Its Mutant-MediatedLewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Acs Catalysis, 12, 2022
7EUP
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BU of 7eup by Molmil
Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis.
Descriptor: (2S,3R)-2-azanyl-3-phenyl-butanoic acid, Cupin domain-containing protein, FE (III) ION
Authors:Li, T.L, Li, Y.S, Chen, M.H.
Deposit date:2021-05-18
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11043429 Å)
Cite:Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Acs Catalysis, 12, 2022
7EQK
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BU of 7eqk by Molmil
Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis.
Descriptor: (E)-3-(1H-indol-3-yl)-2-oxidanyl-but-2-enoic acid, 1-(1~{H}-indol-3-yl)ethanone, Cupin domain-containing protein, ...
Authors:Li, T.L, Li, Y.S, Chen, M.H.
Deposit date:2021-05-03
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.04001021 Å)
Cite:Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Acs Catalysis, 12, 2022
7EU6
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BU of 7eu6 by Molmil
Structural and mechanistic studies of a novel non-heme iron epimerase/lyase and its utilization in chemoselective synthesis.
Descriptor: Cupin domain-containing protein, FE (III) ION, PHOSPHITE ION
Authors:Li, T.L, Li, Y.S, Chen, M.H.
Deposit date:2021-05-16
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.050108 Å)
Cite:Structural and Mechanistic Bases for StnK3 and Its Mutant-Mediated Lewis-Acid-Dependent Epimerization and Retro-Aldol Reactions.
Acs Catalysis, 12, 2022
6M2U
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BU of 6m2u by Molmil
The crystal structure of benzoate coenzyme A ligase double mutant (H333A/I334A) in complex with 2-chloro-1,3-thiazole-5-carboxylate-AMP
Descriptor: 2-chloranyl-1,3-thiazole-5-carboxylic acid, ADENOSINE MONOPHOSPHATE, Benzoate-coenzyme A ligase
Authors:Li, T.L, Adhikari, K.
Deposit date:2020-02-29
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.709 Å)
Cite:Chemoenzymatic Synthesis and Biological Evaluation for Bioactive Molecules Derived from Bacterial Benzoyl Coenzyme A Ligase and Plant Type III Polyketide Synthase.
Biomolecules, 10, 2020
6M2O
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BU of 6m2o by Molmil
Double mutant(H333A/I334A) crystal structure of benzoate coenzyme A ligase
Descriptor: Benzoate-coenzyme A ligase
Authors:Li, T.L, Adhikari, K.
Deposit date:2020-02-28
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Chemoenzymatic Synthesis and Biological Evaluation for Bioactive Molecules Derived from Bacterial Benzoyl Coenzyme A Ligase and Plant Type III Polyketide Synthase.
Biomolecules, 10, 2020
8I80
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BU of 8i80 by Molmil
Crystal structure of Cph001-D189N
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Viomycin kinase
Authors:Chang, C.Y, Toh, S.I, Elaine K, J.
Deposit date:2023-02-02
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8I86
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BU of 8i86 by Molmil
Crystal structure of Cph001-D189N in complex with GTP
Descriptor: DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-TRIPHOSPHATE, Viomycin kinase
Authors:Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
Deposit date:2023-02-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8I84
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BU of 8i84 by Molmil
Crystal structure of Cph001-D189N in complex with CMN IIB
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, KBE-DPP-UAL-MYN-DPP-ALA, ...
Authors:Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
Deposit date:2023-02-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8I85
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BU of 8i85 by Molmil
Crystal structure of Cph001-D189N in complex with ATP
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
Deposit date:2023-02-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8I89
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BU of 8i89 by Molmil
Crystal structure of Cph001-D189N in complex with VIO
Descriptor: DI(HYDROXYETHYL)ETHER, KBE-DPP-SER-SER-UAL-5OH, Viomycin kinase
Authors:Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
Deposit date:2023-02-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8I82
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BU of 8i82 by Molmil
Crystal structure of Cph001-D189N in complex with CMN IIA
Descriptor: ACETATE ION, KBE-DPP-UAL-MYN-DPP-SER, Viomycin kinase
Authors:Chang, C.Y, Toh, S.I, Elaine K, J.
Deposit date:2023-02-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8I8G
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BU of 8i8g by Molmil
Crystal structure of Cph001-D189N in complex with CMN IIA and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, KBE-DPP-UAL-MYN-DPP-SER, Viomycin kinase
Authors:Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
Deposit date:2023-02-04
Release date:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8I8H
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BU of 8i8h by Molmil
Crystal structure of Cph001-D189N in complex with VIO and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, KBE-DPP-SER-SER-UAL-5OH, ...
Authors:Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
Deposit date:2023-02-04
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023

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数据于2024-05-08公开中

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