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1EBM
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BU of 1ebm by Molmil
CRYSTAL STRUCTURE OF THE HUMAN 8-OXOGUANINE GLYCOSYLASE (HOGG1) BOUND TO A SUBSTRATE OLIGONUCLEOTIDE
Descriptor: 8-OXOGUANINE DNA GLYCOSYLASE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3'), ...
Authors:Bruner, S.D, Norman, D.P, Verdine, G.L.
Deposit date:2000-01-24
Release date:2000-03-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for recognition and repair of the endogenous mutagen 8-oxoguanine in DNA.
Nature, 403, 2000
1JMK
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BU of 1jmk by Molmil
Structural Basis for the Cyclization of the Lipopeptide Antibiotic Surfactin by the Thioesterase Domain SrfTE
Descriptor: SULFATE ION, Surfactin Synthetase
Authors:Bruner, S.D, Weber, T, Kohli, R.M, Schwarzer, D, Marahiel, M.A, Walsh, C.T, Stubbs, M.T.
Deposit date:2001-07-18
Release date:2002-03-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural basis for the cyclization of the lipopeptide antibiotic surfactin by the thioesterase domain SrfTE.
Structure, 10, 2002
6E97
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BU of 6e97 by Molmil
Crystal structure of the aryl acid adenylating enzyme FscC from Fuscachelin NRPS in complex with DHB-adenylate
Descriptor: 2,3-dihydroxybenzoate-AMP ligase, 5'-O-[(S)-[(2,3-dihydroxybenzene-1-carbonyl)oxy](hydroxy)phosphoryl]adenosine, GLYCEROL, ...
Authors:Bruner, S.D, Zagulyaeva, A.A.
Deposit date:2018-07-31
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Implication of MbtH-like proteins in crystallization of the independent NRPS A domains. Crystal structure of FscC: supporting rationale for revised mechanism of freestanding aryl acid adenylating enzymes
To Be Published
6E8O
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BU of 6e8o by Molmil
Crystal structure of aryl acid adenylating enzyme FscC from Fuscachelin NRPS in complex with AMP
Descriptor: 2,3-dihydroxybenzoate-AMP ligase, ADENOSINE MONOPHOSPHATE, GLYCEROL, ...
Authors:Bruner, S.D, Zagulyaeva, A.A.
Deposit date:2018-07-30
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Implication of MbtH-like proteins in crystallization of the independent NRPS A domains. Crystal structure of FscC: supporting rationale for revised mechanism of freestanding aryl acid adenylating enzymes
To Be Published
6EBY
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BU of 6eby by Molmil
Crystal structure of the MbtH-like protein FscK bound to the interface forming region of FscH adenylation domain from Thermobifida fusca
Descriptor: Amino acid adenylation, Conserved protein MbtH
Authors:Bruner, S.D, Zagulyaeva, A.A.
Deposit date:2018-08-07
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Comprehensive analysis of protein-protein interactions between MbtH-like protein FscK and adenylation domains in nonribosomal biosynthesis of Fuscachelins.
To Be Published
6EA3
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BU of 6ea3 by Molmil
Thermobifida fusca FscH adenylation domain complexed with MbtH-like protein FscK and Ser-AMP
Descriptor: MbtH-like protein, SERYL ADENYLATE, adenylation domain of Fuscachelin synthetase component H
Authors:Bruner, S.D, Zagulyaeva, A.A.
Deposit date:2018-08-02
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Comprehensive analysis of protein-protein interactions between MbtH-like protein FscK and adenylation domains in nonribosomal biosynthesis of Fuscachelins.
To Be Published
2NP9
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BU of 2np9 by Molmil
Crystal structure of a dioxygenase in the Crotonase superfamily
Descriptor: DpgC, OXYGEN MOLECULE, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE
Authors:Bruner, S.D, Widboom, P.F, Fielding, E.N.
Deposit date:2006-10-26
Release date:2007-05-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for cofactor-independent dioxygenation in vancomycin biosynthesis.
Nature, 447, 2007
8ES6
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BU of 8es6 by Molmil
Crystal structure of an unusual amidase ClbL from colibactin gene cluster
Descriptor: Colibactin biosynthesis amidase ClbL
Authors:Tripathi, P, Bruner, S.D.
Deposit date:2022-10-13
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of the amidase ClbL central to the biosynthesis of the genotoxin colibactin.
Acta Crystallogr D Struct Biol, 79, 2023
1FN7
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BU of 1fn7 by Molmil
COUPLING OF DAMAGE RECOGNITION AND CATALYSIS BY A HUMAN BASE-EXCISION DNA REPAIR PROTEIN
Descriptor: 8-OXOGUANINE DNA GLYCOSYLASE 1, CALCIUM ION, DNA (5'-D(*GP*CP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*TP*AP*CP*C)-3'), ...
Authors:Norman, D.P.G, Bruner, S.D, Verdine, G.L.
Deposit date:2000-08-21
Release date:2001-04-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Coupling of substrate recognition and catalysis by a human base-excision DNA repair protein.
J.Am.Chem.Soc., 123, 2001
8TYJ
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BU of 8tyj by Molmil
Crystal structure of SARS-CoV-2 nsp10/nsp16 complex with bound SAH
Descriptor: 2'-O-methyltransferase, GLYCEROL, Non-structural protein 10, ...
Authors:Patel, K.P, Bruner, S.D.
Deposit date:2023-08-25
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of SARS-CoV-2 nsp10/nsp16 complex with bound SAH
To Be Published
8UO7
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BU of 8uo7 by Molmil
Bovine trypsin in complex with deacetylated wild type microviridin J
Descriptor: CALCIUM ION, Cationic trypsin, Deacetylated wildtype microviridin J, ...
Authors:Chen, W, Bruner, S.D.
Deposit date:2023-10-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Alternative Linkage Chemistries in the Chemoenzymatic Synthesis of Microviridin-Based Cyclic Peptides.
Org.Lett., 26, 2024
8UTL
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BU of 8utl by Molmil
Bovine trypsin in complex with Thr3Dap mutated microviridin J
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Chen, W, Bruner, S.D.
Deposit date:2023-10-31
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Alternative Linkage Chemistries in the Chemoenzymatic Synthesis of Microviridin-Based Cyclic Peptides.
Org.Lett., 26, 2024
3TEJ
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BU of 3tej by Molmil
Crystal structure of a domain fragment involved in peptide natural product biosynthesis
Descriptor: Enterobactin synthase component F
Authors:Liu, Y, Zheng, T, Bruner, S.D.
Deposit date:2011-08-15
Release date:2012-01-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for phosphopantetheinyl carrier domain interactions in the terminal module of nonribosomal peptide synthetases.
Chem.Biol., 18, 2011
7T2Z
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BU of 7t2z by Molmil
The structure of Haemophilus influenzae Rd KW20 nitroreductase complexed with 1-methyl-5-nitroimidazole
Descriptor: 1,2-ETHANEDIOL, 1-methyl-5-nitro-1H-imidazole, ACETIC ACID, ...
Authors:Wanniarachchi, T.N, Bruner, S.D.
Deposit date:2021-12-06
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2547 Å)
Cite:Biochemical and structural characterization of Haemophilus influenzae nitroreductase in metabolizing nitroimidazoles.
Rsc Chem Biol, 3, 2022
7T33
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BU of 7t33 by Molmil
The structure of Haemophilus influenzae Rd KW20 nitroreductase complexed with nicotinic acid
Descriptor: FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, Putative NAD(P)H nitroreductase, ...
Authors:Wanniarachchi, T.N, Bruner, S.D.
Deposit date:2021-12-06
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Biochemical and structural characterization of Haemophilus influenzae nitroreductase in metabolizing nitroimidazoles.
Rsc Chem Biol, 3, 2022
1HU0
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BU of 1hu0 by Molmil
CRYSTAL STRUCTURE OF AN HOGG1-DNA BOROHYDRIDE TRAPPED INTERMEDIATE COMPLEX
Descriptor: 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-OXOGUANINE, ...
Authors:Fromme, J.C, Bruner, S.D, Yang, W, Karplus, M, Verdine, G.L.
Deposit date:2001-01-03
Release date:2003-02-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Product-Assisted Catalysis in base-excision DNA Repair
Nat.Struct.Biol., 10, 2003
1LWW
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BU of 1lww by Molmil
Borohydride-trapped hOgg1 Intermediate Structure Co-Crystallized with 8-bromoguanine
Descriptor: 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-BROMOGUANINE, ...
Authors:Fromme, J.C, Bruner, S.D, Yang, W, Karplus, M, Verdine, G.L.
Deposit date:2002-06-03
Release date:2003-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Product-Assisted Catalysis in Base Excision DNA Repair
Nat.Struct.Biol., 10, 2003
1LWV
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BU of 1lwv by Molmil
Borohydride-trapped hOgg1 Intermediate Structure Co-Crystallized with 8-aminoguanine
Descriptor: 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-AMINOGUANINE, ...
Authors:Fromme, J.C, Bruner, S.D, Yang, W, Karplus, M, Verdine, G.L.
Deposit date:2002-06-03
Release date:2003-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Product-Assisted Catalysis in Base Excision DNA Repair
Nat.Struct.Biol., 10, 2003
1LWY
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BU of 1lwy by Molmil
hOgg1 Borohydride-Trapped Intermediate without 8-oxoguanine
Descriptor: 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-OXOGUANINE DNA GLYCOSYLASE
Authors:Fromme, J.C, Bruner, S.D, Yang, W, Karplus, M, Verdine, G.L.
Deposit date:2002-06-03
Release date:2003-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Product-Assisted Catalysis in Base Excision DNA Repair
Nat.Struct.Biol., 10, 2003
6UFI
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BU of 6ufi by Molmil
W96Y Oxalate Decarboxylase (Bacillus subtilis)
Descriptor: CHLORIDE ION, Cupin domain-containing protein, GLYCEROL, ...
Authors:Pastore, A.J, Burg, M.J, Twahir, U.T, Bruner, S.D, Angerhofer, A.
Deposit date:2019-09-24
Release date:2020-09-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Oxalate decarboxylase uses electron hole hopping for catalysis.
J.Biol.Chem., 297, 2021
6TZP
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BU of 6tzp by Molmil
W96F Oxalate Decarboxylase (B. subtilis)
Descriptor: MANGANESE (II) ION, Oxalate decarboxylase
Authors:Pastore, A.J, Burg, M.J, Twahir, U.T, Bruner, S.D, Angerhofer, A.
Deposit date:2019-08-12
Release date:2021-02-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Oxalate decarboxylase uses electron hole hopping for catalysis.
J.Biol.Chem., 297, 2021
5KAH
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BU of 5kah by Molmil
Crystal structure of a dioxygenase in the Crotonase superfamily in P21, V425T mutant
Descriptor: (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE
Authors:Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D.
Deposit date:2016-06-01
Release date:2017-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.779 Å)
Cite:Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase.
Acta Crystallogr D Struct Biol, 73, 2017
5K3J
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BU of 5k3j by Molmil
Crystals structure of Acyl-CoA oxidase-2 in Caenorhabditis elegans bound with FAD, ascaroside-CoA, and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Acyl-coenzyme A oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Zhang, X, Li, K, Jones, R.A, Bruner, S.D, Butcher, R.A.
Deposit date:2016-05-19
Release date:2016-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural characterization of acyl-CoA oxidases reveals a direct link between pheromone biosynthesis and metabolic state in Caenorhabditis elegans.
Proc.Natl.Acad.Sci.USA, 113, 2016
5KAG
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BU of 5kag by Molmil
Crystal structure of a dioxygenase in the Crotonase superfamily in P21
Descriptor: (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, OXYGEN MOLECULE, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE
Authors:Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D.
Deposit date:2016-06-01
Release date:2017-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.456 Å)
Cite:Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase.
Acta Crystallogr D Struct Biol, 73, 2017
6ANR
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BU of 6anr by Molmil
Crystal structure of a self resistance protein ClbS from colibactin biosynthetic gene cluster
Descriptor: Colibactin self-protection protein ClbS
Authors:Tripathi, P, Bruner, S.D.
Deposit date:2017-08-14
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:ClbS Is a Cyclopropane Hydrolase That Confers Colibactin Resistance.
J. Am. Chem. Soc., 139, 2017

 

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