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PDB: 64 results

7MTL
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Crystal structure of colibactin self-resistance protein ClbS in complex with a dsDNA
Descriptor: Colibactin self-protection protein ClbS, DNA (5'-D(*AP*AP*TP*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*GP*AP*AP*GP*TP*GP*GP*GP*AP*AP*TP*T)-3')
Authors:Tripathi, P, Bruner, S.D.
Deposit date:2021-05-13
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.446 Å)
Cite:Structural Basis for the Interactions of the Colibactin Resistance Gene Product ClbS with DNA.
Biochemistry, 60, 2021
7MTT
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Crystal structure of colibactin self-resistance protein ClbS in complex with two molecules of CHES
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Colibactin self-protection protein ClbS
Authors:Tripathi, P, Bruner, S.D.
Deposit date:2021-05-13
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis for the Interactions of the Colibactin Resistance Gene Product ClbS with DNA.
Biochemistry, 60, 2021
3KDZ
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BU of 3kdz by Molmil
X-ray crystal structure of a tyrosine aminomutase mutant construct with bound ligand
Descriptor: Histidine ammonia-lyase, TYROSINE
Authors:Cooke, H.A, Bruner, S.D.
Deposit date:2009-10-23
Release date:2010-07-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Probing the active site of MIO-dependent aminomutases, key catalysts in the biosynthesis of beta-amino acids incorporated in secondary metabolites
Biopolymers, 93, 2010
5UGZ
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Crystal structure of ClbQ from the colibactin NRPS/PKS pathway
Descriptor: BETA-MERCAPTOETHANOL, Putative thioesterase
Authors:Guntaka, N.S, Bruner, S.D.
Deposit date:2017-01-10
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:Structure and Functional Analysis of ClbQ, an Unusual Intermediate-Releasing Thioesterase from the Colibactin Biosynthetic Pathway.
ACS Chem. Biol., 12, 2017
1LWW
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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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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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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
5V6I
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Glycan binding protein Y3 from mushroom Coprinus comatus possesses anti-leukemic activity - Pt derivative
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, PLATINUM (II) ION, ...
Authors:Li, K, Zhang, P, Gang, Y, Xia, C, Polston, J.E, Li, G, Li, S, Lin, Z, Yang, L.-J, Bruner, S.D, Ding, Y.
Deposit date:2017-03-16
Release date:2017-08-16
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5V6J
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Glycan binding protein Y3 from mushroom Coprinus comatus possesses anti-leukemic activity
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, TMV resistance protein Y3
Authors:Li, K, Zhang, P, Gang, Y, Xia, C, Polston, J.E, Li, G, Li, S, Lin, Z, Yang, L.-J, Bruner, S.D, Ding, Y.
Deposit date:2017-03-16
Release date:2017-08-16
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3I53
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Crystal structure of an O-methyltransferase (NcsB1) from neocarzinostatin biosynthesis in complex with S-adenosyl-L-homocysteine (SAH)
Descriptor: GLYCEROL, O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Cooke, H.A, Bruner, S.D.
Deposit date:2009-07-03
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Molecular basis of substrate promiscuity for the SAM-dependent O-methyltransferase NcsB1, involved in the biosynthesis of the enediyne antitumor antibiotic neocarzinostatin.
Biochemistry, 48, 2009
3I64
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Crystal structure of an O-methyltransferase (NcsB1) from neocarzinostatin biosynthesis in complex with S-adenosyl-L-homocysteine (SAH) and 1,4-dihydroxy-2-naphthoic acid (DHN)
Descriptor: 1,4-dihydroxy-2-naphthoic acid, GLYCEROL, O-methyltransferase, ...
Authors:Cooke, H.A, Bruner, S.D.
Deposit date:2009-07-06
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular basis of substrate promiscuity for the SAM-dependent O-methyltransferase NcsB1, involved in the biosynthesis of the enediyne antitumor antibiotic neocarzinostatin.
Biochemistry, 48, 2009
3I5U
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BU of 3i5u by Molmil
Crystal structure of an O-methyltransferase (NcsB1) from neocarzinostatin biosynthesis in complex with S-adenosylmethionine (SAM) and 2-hydroxy-5-methyl naphthoic acid (MNA)
Descriptor: 2-hydroxy-5-methyl naphthoic acid, GLYCEROL, O-methyltransferase, ...
Authors:Cooke, H.A, Bruner, S.D.
Deposit date:2009-07-06
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis of substrate promiscuity for the SAM-dependent O-methyltransferase NcsB1, involved in the biosynthesis of the enediyne antitumor antibiotic neocarzinostatin.
Biochemistry, 48, 2009
3I58
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BU of 3i58 by Molmil
Crystal structure of an O-methyltransferase (NcsB1) from neocarzinostatin biosynthesis in complex with S-adenosyl-L-homocysteine (SAH) and 2-hydroxy-7-methoxy-5-methyl naphthoic acid (NA)
Descriptor: 2-hydroxy-7-methoxy-5-methyl naphthoic acid, GLYCEROL, O-methyltransferase, ...
Authors:Cooke, H.A, Bruner, S.D.
Deposit date:2009-07-03
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Molecular basis of substrate promiscuity for the SAM-dependent O-methyltransferase NcsB1, involved in the biosynthesis of the enediyne antitumor antibiotic neocarzinostatin.
Biochemistry, 48, 2009
2QVE
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BU of 2qve by Molmil
Crystal Structure of SgTAM bound to mechanism based inhibitor
Descriptor: (3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid, Tyrosine Aminomutase
Authors:Christianson, C.V, Montavon, T.J, Bruner, S.D.
Deposit date:2007-08-08
Release date:2008-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and characterization of mechanism-based inhibitors for the tyrosine aminomutase SgTAM
Bioorg.Med.Chem.Lett., 18, 2008
2RJS
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BU of 2rjs by Molmil
SgTAM bound to substrate mimic
Descriptor: (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid, Tyrosine aminomutase
Authors:Montavon, T.J, Christianson, C.V, Bruner, S.D.
Deposit date:2007-10-15
Release date:2008-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and characterization of mechanism-based inhibitors for the tyrosine aminomutase SgTAM.
Bioorg.Med.Chem.Lett., 18, 2008
2RJR
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BU of 2rjr by Molmil
Substrate mimic bound to SgTAM
Descriptor: (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid, Tyrosine aminomutase
Authors:Montavon, T.J, Christianson, C.V, Bruner, S.D.
Deposit date:2007-10-15
Release date:2008-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and characterization of mechanism-based inhibitors for the tyrosine aminomutase SgTAM.
Bioorg.Med.Chem.Lett., 18, 2008
7RK0
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BU of 7rk0 by Molmil
Crystal structure of Thermovibrio ammonificans THI4
Descriptor: 2-[(E)-[(4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid, FE (III) ION, Thiamine thiazole synthase
Authors:Li, Q, Bruner, S.D.
Deposit date:2021-07-21
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure and function of aerotolerant, multiple-turnover THI4 thiazole synthases.
Biochem.J., 478, 2021
5ISX
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BU of 5isx by Molmil
Structure of the holo PCP-E didomain of the gramicidin S synthetase A
Descriptor: 4'-PHOSPHOPANTETHEINE, GLYCEROL, Gramicidin S synthase 1
Authors:Chen, W.-H, Li, K, Bruner, S.D.
Deposit date:2016-03-15
Release date:2016-06-29
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.335 Å)
Cite:Interdomain and Intermodule Organization in Epimerization Domain Containing Nonribosomal Peptide Synthetases.
Acs Chem.Biol., 11, 2016
5IG8
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BU of 5ig8 by Molmil
Crystal structure of macrocyclase MdnB from Microcystis aeruginosa MRC
Descriptor: ATP grasp ligase
Authors:Li, K, Condurso, H.L, Bruner, S.D.
Deposit date:2016-02-27
Release date:2016-09-21
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:Structural basis for precursor protein-directed ribosomal peptide macrocyclization.
Nat.Chem.Biol., 12, 2016
5IG9
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BU of 5ig9 by Molmil
Crystal structure of macrocyclase MdnC bound with precursor peptide MdnA from Microcystis aeruginosa MRC
Descriptor: ATP grasp ligase, Microviridin
Authors:Li, K, Condurso, H.L, Bruner, S.D.
Deposit date:2016-02-27
Release date:2016-09-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.665 Å)
Cite:Structural basis for precursor protein-directed ribosomal peptide macrocyclization.
Nat.Chem.Biol., 12, 2016
5ISW
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BU of 5isw by Molmil
Structure of the apo PCP-E didomain of the gramicidin S synthetase A
Descriptor: GLYCEROL, Gramicidin S synthase 1
Authors:Chen, W.-H, Li, K, Bruner, S.D.
Deposit date:2016-03-15
Release date:2016-06-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Interdomain and Intermodule Organization in Epimerization Domain Containing Nonribosomal Peptide Synthetases.
Acs Chem.Biol., 11, 2016
5K3H
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Crystals structure of Acyl-CoA oxidase-1 in Caenorhabditis elegans, Apo form-II
Descriptor: Acyl-coenzyme A oxidase
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:2023-09-27
Method:X-RAY DIFFRACTION (2.48 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
5KAJ
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BU of 5kaj by Molmil
Crystal structure of a dioxygenase in the Crotonase superfamily in P21, A319C mutant
Descriptor: (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
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 (2.681 Å)
Cite:Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase.
Acta Crystallogr D Struct Biol, 73, 2017
5K3I
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Crystal structure of Acyl-CoA oxidase-1 in Caenorhabditis elegans complexed with FAD 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:2024-01-31
Method:X-RAY DIFFRACTION (2.683 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
5K3G
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BU of 5k3g by Molmil
Crystals structure of Acyl-CoA oxidase-1 in Caenorhabditis elegans, Apo form-I
Descriptor: Acyl-coenzyme A oxidase
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:2023-09-27
Method:X-RAY DIFFRACTION (2.859 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

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