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5CL9
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BU of 5cl9 by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing an abasic site and a free nucleobase (100% product at 240 hours)
Descriptor: 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(ORP)P*AP*GP*TP*CP*CP*G)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
5CL4
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BU of 5cl4 by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-methyladenine analog or DNA containing an abasic site and a free nucleobase (71% substrate/29% product at 24 hours)
Descriptor: 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(DZM)P*AP*GP*TP*CP*CP*G)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.866 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
5CL7
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BU of 5cl7 by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-methyladenine analog or DNA containing an abasic site and a free nucleobase (18% substrate/82% product at 96 hours)
Descriptor: 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(DZM)P*AP*GP*TP*CP*CP*G)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
5CLD
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BU of 5cld by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing an oxocarbenium-intermediate analog and a free 3-methyladenine nucleobase
Descriptor: 3-METHYL-3H-PURIN-6-YLAMINE, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(NRI)P*AP*GP*TP*CP*CP*G)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
5CLA
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BU of 5cla by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing an abasic site and a free nucleobase (100% product at 360 hours)
Descriptor: 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(ORP)P*AP*GP*TP*CP*CP*G)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
5CL5
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BU of 5cl5 by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-methyladenine analog or DNA containing an abasic site and a free nucleobase (51% substrate/49% product at 48 hours)
Descriptor: 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(DZM)P*AP*GP*TP*CP*CP*G)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.569 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
5CL6
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BU of 5cl6 by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-methyladenine analog or DNA containing an abasic site and a free nucleobase (33% substrate/67% product at 72 hours)
Descriptor: 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(DZM)P*AP*GP*TP*CP*CP*G)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
5CLC
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BU of 5clc by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-methyladenine analog (9-mer B)
Descriptor: AlkD, DNA (5'-D(*AP*AP*GP*CP*CP*(DZM)P*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*TP*GP*GP*CP*T)-3')
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.729 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
7LXH
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BU of 7lxh by Molmil
Bacillus cereus DNA glycosylase AlkD bound to a CC1065-adenine nucleobase adduct and DNA containing an abasic site
Descriptor: 7-{7-[(1R)-1-{[(4P)-6-amino-3H-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboxamide, CALCIUM ION, DNA (5'-D(*AP*GP*CP*AP*AP*(ORP)P*GP*GP*C)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2021-03-03
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.667 Å)
Cite:Structural evolution of a DNA repair self-resistance mechanism targeting genotoxic secondary metabolites.
Nat Commun, 12, 2021
7LXJ
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BU of 7lxj by Molmil
Bacillus cereus DNA glycosylase AlkD bound to a duocarmycin SA-adenine nucleobase adduct and DNA containing an abasic site
Descriptor: CALCIUM ION, DNA (5'-D(*AP*GP*CP*AP*AP*(ORP)P*GP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*CP*TP*TP*TP*GP*C)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2021-03-03
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural evolution of a DNA repair self-resistance mechanism targeting genotoxic secondary metabolites.
Nat Commun, 12, 2021
4EU9
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BU of 4eu9 by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6-R228E) in complex with CoA and a covalent glutamyl-CoA thioester adduct
Descriptor: CHLORIDE ION, COENZYME A, Succinyl-CoA:acetate coenzyme A transferase
Authors:Mullins, E.A, Kappock, T.J.
Deposit date:2012-04-25
Release date:2012-10-10
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.479 Å)
Cite:Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
4EUA
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BU of 4eua by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6-R228E) in complex with CoA (anomalous dataset)
Descriptor: CHLORIDE ION, COENZYME A, Succinyl-CoA:acetate coenzyme A transferase
Authors:Mullins, E.A, Kappock, T.J.
Deposit date:2012-04-25
Release date:2012-10-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
4EU7
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BU of 4eu7 by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6) in complex with CoA and citrate
Descriptor: CHLORIDE ION, CITRIC ACID, COENZYME A, ...
Authors:Mullins, E.A, Kappock, T.J.
Deposit date:2012-04-25
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
4EU4
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BU of 4eu4 by Molmil
Succinyl-CoA: acetate CoA-transferase (AarCH6) in complex with CoA (hexagonal lattice)
Descriptor: CHLORIDE ION, COENZYME A, SULFATE ION, ...
Authors:Mullins, E.A, Kappock, T.J.
Deposit date:2012-04-25
Release date:2012-10-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
4EUB
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BU of 4eub by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6-E294A) in complex with CoA
Descriptor: CHLORIDE ION, COENZYME A, Succinyl-CoA:acetate coenzyme A transferase
Authors:Mullins, E.A, Kappock, T.J.
Deposit date:2012-04-25
Release date:2012-10-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
4EU5
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BU of 4eu5 by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6) in complex with CoA
Descriptor: CHLORIDE ION, COENZYME A, Succinyl-CoA:acetate coenzyme A transferase
Authors:Mullins, E.A, Kappock, T.J.
Deposit date:2012-04-25
Release date:2012-10-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.743 Å)
Cite:Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
4EUD
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BU of 4eud by Molmil
Succinyl-CoA:acetate CoA-transferase (AarC) in complex with CoA and citrate
Descriptor: CHLORIDE ION, CITRIC ACID, COENZYME A, ...
Authors:Mullins, E.A, Kappock, T.J.
Deposit date:2012-04-25
Release date:2012-10-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
4EUC
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BU of 4euc by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6-E294A) in complex with dethiaacetyl-CoA
Descriptor: CHLORIDE ION, Succinyl-CoA:acetate coenzyme A transferase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(4-oxidanylidenepentylamino)propyl]amino]butyl] hydrogen phosphate
Authors:Mullins, E.A, Kappock, T.J.
Deposit date:2012-04-25
Release date:2012-10-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.644 Å)
Cite:Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
4EU8
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BU of 4eu8 by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6-S71A) in complex with CoA
Descriptor: CHLORIDE ION, COENZYME A, Succinyl-CoA:acetate coenzyme A transferase
Authors:Mullins, E.A, Kappock, T.J.
Deposit date:2012-04-25
Release date:2012-10-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.809 Å)
Cite:Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
4EU3
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BU of 4eu3 by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6) in complex with citrate (subunit B) or unliganded (subunit A)
Descriptor: CHLORIDE ION, CITRIC ACID, Succinyl-CoA:acetate coenzyme A transferase
Authors:Mullins, E.A, Kappock, T.J.
Deposit date:2012-04-25
Release date:2012-10-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
4EU6
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BU of 4eu6 by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6) in complex with CoA, acetate, and covalent acetylglutamyl anhydride and glutamyl-CoA thioester adducts
Descriptor: ACETATE ION, CHLORIDE ION, COENZYME A, ...
Authors:Mullins, E.A, Kappock, T.J.
Deposit date:2012-04-25
Release date:2012-10-10
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.988 Å)
Cite:Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
5KUB
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BU of 5kub by Molmil
Bacillus cereus DNA glycosylase AlkD bound to 7-methylguanine nucleobase and DNA containing an oxocarbenium-intermediate analog
Descriptor: 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, DNA (5'-D(*CP*CP*CP*GP*AP*(NRI)P*AP*GP*TP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*AP*CP*TP*CP*TP*CP*GP*GP*G)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2016-07-13
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A Catalytic Role for C-H/ pi Interactions in Base Excision Repair by Bacillus cereus DNA Glycosylase AlkD.
J.Am.Chem.Soc., 138, 2016
5E5H
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BU of 5e5h by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6) bound to acetate and degradation products from the acetyl-CoA analogue dethiaacetyl-CoA
Descriptor: ACETATE ION, ACETYL GROUP, CHLORIDE ION, ...
Authors:Mullins, E.A, Kappock, T.J.
Deposit date:2015-10-08
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Functional Dissection of the Bipartite Active Site of the Class I Coenzyme A (CoA)-Transferase Succinyl-CoA:Acetate CoA-Transferase.
Front Chem, 4, 2016
3UBM
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BU of 3ubm by Molmil
Formyl-CoA:oxalate CoA-transferase from Acetobacter aceti
Descriptor: COENZYME A, Formyl-CoA:oxalate CoA-transferase
Authors:Starks, C.M, Mullins, E.A, Kappock, T.J.
Deposit date:2011-10-24
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Formyl-coenzyme A (CoA): Oxalate CoA-transferase from the acidophile Acetobacter aceti has a distinctive electrostatic surface and inherent acid stability.
Protein Sci., 21, 2012
5DDK
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BU of 5ddk by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6-N347A) in complex with CoA
Descriptor: Acetyl-CoA hydrolase, CHLORIDE ION, COENZYME A, ...
Authors:Kappock, T.J, Mullins, E.A, Murphy, J.R.
Deposit date:2015-08-25
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.127 Å)
Cite:Functional Dissection of the Bipartite Active Site of the Class I Coenzyme A (CoA)-Transferase Succinyl-CoA:Acetate CoA-Transferase.
Front Chem, 4, 2016

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数据于2024-07-17公开中

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