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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
4Z3N
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BU of 4z3n by Molmil
Crystal structure of the MATE transporter ClbM
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CACODYLATE ION, Putative drug/sodium antiporter
Authors:Mousa, J.J, Bruner, S.D.
Deposit date:2015-03-31
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:MATE transport of the E. coli-derived genotoxin colibactin.
Nat Microbiol, 1, 2016
7MTT
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BU of 7mtt by Molmil
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
7MTL
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BU of 7mtl by Molmil
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
5DH2
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BU of 5dh2 by Molmil
Structure of the siderophore periplasmic binding protein from the fuscachelin gene cluster of Thermobifida fusca in I222
Descriptor: siderophore periplasmic binding protein
Authors:Li, K, Bruner, S.D.
Deposit date:2015-08-29
Release date:2015-11-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure and functional analysis of the siderophore periplasmic binding protein from the fuscachelin gene cluster of Thermobifida fusca.
Proteins, 84, 2016
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:2024-04-03
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
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
5UGZ
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BU of 5ugz by Molmil
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
5V6I
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BU of 5v6i by Molmil
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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BU of 5v6j by Molmil
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
3I64
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BU of 3i64 by Molmil
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
3I53
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BU of 3i53 by Molmil
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
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
5DH0
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BU of 5dh0 by Molmil
Structure of the siderophore periplasmic binding protein from the fuscachelin gene cluster of Thermobifida fusca in P41
Descriptor: siderophore periplasmic binding protein
Authors:Li, K, Bruner, S.D.
Deposit date:2015-08-29
Release date:2015-11-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.444 Å)
Cite:Structure and functional analysis of the siderophore periplasmic binding protein from the fuscachelin gene cluster of Thermobifida fusca.
Proteins, 84, 2016
5DH1
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BU of 5dh1 by Molmil
Structure of the siderophore periplasmic binding protein from the fuscachelin gene cluster of Thermobifida fusca in P21
Descriptor: siderophore periplasmic binding protein
Authors:Li, K, Bruner, S.D.
Deposit date:2015-08-29
Release date:2015-11-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.842 Å)
Cite:Structure and functional analysis of the siderophore periplasmic binding protein from the fuscachelin gene cluster of Thermobifida fusca.
Proteins, 84, 2016
5DMM
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BU of 5dmm by Molmil
Crystal Structure of the Homocysteine Methyltransferase MmuM from Escherichia coli, Metallated form
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, BETA-MERCAPTOETHANOL, Homocysteine S-methyltransferase, ...
Authors:Li, K, Li, G, Bradbury, L.M.T, Andrew, H.D, Bruner, S.D.
Deposit date:2015-09-09
Release date:2015-11-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.779 Å)
Cite:Crystal structure of the homocysteine methyltransferase MmuM from Escherichia coli.
Biochem.J., 473, 2016
6B9V
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BU of 6b9v by Molmil
Crystal Structure of a New Diphosphatase from the PhnP Family
Descriptor: Beta-lactamase-like protein, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Li, Q, Bruner, S.D.
Deposit date:2017-10-11
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:An unusual diphosphatase from the PhnP family cleaves reactive FAD photoproducts.
Biochem.J., 475, 2018
5DML
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BU of 5dml by Molmil
Crystal Structure of the Homocysteine Methyltransferase MmuM from Escherichia coli, Oxidized form
Descriptor: CHLORIDE ION, Homocysteine S-methyltransferase
Authors:Li, K, Li, G, Bradbury, L.M.T, Andrew, H.D, Bruner, S.D.
Deposit date:2015-09-09
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.452 Å)
Cite:Crystal structure of the homocysteine methyltransferase MmuM from Escherichia coli.
Biochem.J., 473, 2016
6BTD
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BU of 6btd by Molmil
Crystal structure of deoxyribose-phosphate aldolase from Bacillus Thuringiensis involved in dispatching the ubiquitous radical SAM enzyme byproduct 5-deoxyribose
Descriptor: Fuculose phosphate aldolase, MANGANESE (II) ION, SULFATE ION
Authors:Li, Q, Bruner, S.D.
Deposit date:2017-12-06
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Salvage of the 5-deoxyribose byproduct of radical SAM enzymes.
Nat Commun, 9, 2018
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
6BTG
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BU of 6btg by Molmil
Crystal structure of deoxyribose-phosphate aldolase bound with DHAP from Bacillus Thuringiensis
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fuculose phosphate aldolase, MANGANESE (II) ION
Authors:Li, Q, Bruner, S.D.
Deposit date:2017-12-06
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Salvage of the 5-deoxyribose byproduct of radical SAM enzymes.
Nat Commun, 9, 2018

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