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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
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
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
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
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
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
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
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
4YHB
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BU of 4yhb by Molmil
Crystal structure of a siderophore utilization protein from T. fusca
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Iron-chelator utilization protein, ...
Authors:Li, K, Bruner, S.D.
Deposit date:2015-02-27
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8892 Å)
Cite:Structure and Mechanism of the Siderophore-Interacting Protein from the Fuscachelin Gene Cluster of Thermobifida fusca.
Biochemistry, 54, 2015
4YLH
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BU of 4ylh by Molmil
Crystal structure of DpgC with bound substrate analog and Xe on oxygen diffusion pathway
Descriptor: DpgC, XENON, [(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, Di Russo, N.V, Condurso, H.L, Roitberg, A.E, Bruner, S.D.
Deposit date:2015-03-05
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Oxygen diffusion pathways in a cofactor-independent dioxygenase.
Chem Sci, 6, 2015
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
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
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
4Z3P
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BU of 4z3p by Molmil
MATE transporter ClbM in complex with Rb+
Descriptor: CACODYLATE ION, Putative drug/sodium antiporter, RUBIDIUM ION
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 (3.3 Å)
Cite:MATE transport of the E. coli-derived genotoxin colibactin.
Nat Microbiol, 1, 2016
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
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
7LC5
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BU of 7lc5 by Molmil
Crystal structure of epoxyqueuosine reductase QueH from Thermotoga maritima
Descriptor: CHLORIDE ION, Epoxyqueuosine reductase QueH, FE (III) ION, ...
Authors:Li, Q, Bruner, S.D.
Deposit date:2021-01-09
Release date:2021-11-03
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Epoxyqueuosine Reductase QueH in the Biosynthetic Pathway to tRNA Queuosine Is a Unique Metalloenzyme.
Biochemistry, 60, 2021
7LC7
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BU of 7lc7 by Molmil
Crystal structure of epoxyqueuosine reductase QueH in complex with GMP from Thermotoga maritima
Descriptor: CHLORIDE ION, Epoxyqueuosine reductase QueH, FE (III) ION, ...
Authors:Li, Q, Bruner, S.D.
Deposit date:2021-01-09
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The epoxyqueuosine reductase QueH in the biosynthesis of tRNA queuosine is a unique metalloenzyme
To Be Published
7M4S
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BU of 7m4s by Molmil
Crystal structure of macrocyclase AMdnB from Anabaena sp. PCC 7120
Descriptor: AMdnB protein
Authors:Li, G, Bruner, S.D.
Deposit date:2021-03-22
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Structural and biochemical studies of an iterative ribosomal peptide macrocyclase.
Proteins, 90, 2022
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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BU of 5k3h by Molmil
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

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