Author results

1EBM
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CRYSTAL STRUCTURE OF THE HUMAN 8-OXOGUANINE GLYCOSYLASE (HOGG1) BOUND TO A SUBSTRATE OLIGONUCLEOTIDE
Descriptor:DNA (5'-D(*GP*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3'), 8-OXOGUANINE DNA GLYCOSYLASE, ...
Authors:Bruner, S.D., Norman, D.P., Verdine, G.L.
Deposit date:2000-01-24
Release date:2000-03-20
Last modified:2011-07-13
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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STRUCTURAL BASIS FOR THE CYCLIZATION OF THE LIPOPEPTIDE ANTIBIOTIC SURFACTIN BY THE THIOESTERASE DOMAIN SRFTE
Descriptor:Surfactin Synthetase, SULFATE ION
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:2011-07-13
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
6E8O
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CRYSTAL STRUCTURE OF ARYL ACID ADENYLATING ENZYME FSCC FROM FUSCACHELIN NRPS IN COMPLEX WITH AMP
Descriptor:2,3-dihydroxybenzoate-AMP ligase, ADENOSINE MONOPHOSPHATE, SULFATE ION, ...
Authors:Bruner, S.D., Zagulyaeva, A.A.
Deposit date:2018-07-30
Release date:2019-08-21
Last modified:2019-08-28
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
6E97
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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, SULFATE ION, ...
Authors:Bruner, S.D., Zagulyaeva, A.A.
Deposit date:2018-07-31
Release date:2019-08-21
Last modified:2019-08-28
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
6EA3
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THERMOBIFIDA FUSCA FSCH ADENYLATION DOMAIN COMPLEXED WITH MBTH-LIKE PROTEIN FSCK AND SER-AMP
Descriptor:MbtH-like protein, adenylation domain of Fuscachelin synthetase component H, SERYL ADENYLATE
Authors:Bruner, S.D., Zagulyaeva, A.A.
Deposit date:2018-08-02
Release date:2019-08-07
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
6EBY
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CRYSTAL STRUCTURE OF THE MBTH-LIKE PROTEIN FSCK BOUND TO THE INTERFACE FORMING REGION OF FSCH ADENYLATION DOMAIN FROM THERMOBIFIDA FUSCA
Descriptor:Conserved protein MbtH, Amino acid adenylation
Authors:Bruner, S.D., Zagulyaeva, A.A.
Deposit date:2018-08-07
Release date:2019-08-21
Last modified:2020-01-29
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
2NP9
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CRYSTAL STRUCTURE OF A DIOXYGENASE IN THE CROTONASE SUPERFAMILY
Descriptor:DpgC, [(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, OXYGEN MOLECULE
Authors:Bruner, S.D., Widboom, P.F., Fielding, E.N.
Deposit date:2006-10-26
Release date:2007-05-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for cofactor-independent dioxygenation in vancomycin biosynthesis.
Nature, 447, 2007
1FN7
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COUPLING OF DAMAGE RECOGNITION AND CATALYSIS BY A HUMAN BASE-EXCISION DNA REPAIR PROTEIN
Descriptor:DNA (5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*TP*AP*CP*C)-3'), 8-OXOGUANINE DNA GLYCOSYLASE 1, ...
Authors:Norman, D.P.G., Bruner, S.D., Verdine, G.L.
Deposit date:2000-08-21
Release date:2001-04-21
Last modified:2011-07-13
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
1HU0
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CRYSTAL STRUCTURE OF AN HOGG1-DNA BOROHYDRIDE TRAPPED INTERMEDIATE COMPLEX
Descriptor:5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*C)-3', 8-OXOGUANINE DNA GLYCOSYLASE 1, ...
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:2011-07-13
Method:X-RAY DIFFRACTION (2.35 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*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*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 (2.3 Å)
Cite:Product-Assisted Catalysis in Base Excision DNA Repair
Nat.Struct.Biol., 10, 2003
1LWW
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BOROHYDRIDE-TRAPPED HOGG1 INTERMEDIATE STRUCTURE CO-CRYSTALLIZED WITH 8-BROMOGUANINE
Descriptor:5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*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 (2.1 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*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*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
2QVE
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CRYSTAL STRUCTURE OF SGTAM BOUND TO MECHANISM BASED INHIBITOR
Descriptor:Tyrosine Aminomutase, (3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid
Authors:Christianson, C.V., Montavon, T.J., Bruner, S.D.
Deposit date:2007-08-08
Release date:2008-07-22
Last modified:2019-07-24
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
2RJR
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SUBSTRATE MIMIC BOUND TO SGTAM
Descriptor:Tyrosine aminomutase, (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid
Authors:Montavon, T.J., Christianson, C.V., Bruner, S.D.
Deposit date:2007-10-15
Release date:2008-01-15
Last modified:2017-10-25
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
2RJS
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SGTAM BOUND TO SUBSTRATE MIMIC
Descriptor:Tyrosine aminomutase, (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid
Authors:Montavon, T.J., Christianson, C.V., Bruner, S.D.
Deposit date:2007-10-15
Release date:2008-01-15
Last modified:2017-10-25
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
3I53
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CRYSTAL STRUCTURE OF AN O-METHYLTRANSFERASE (NCSB1) FROM NEOCARZINOSTATIN BIOSYNTHESIS IN COMPLEX WITH S-ADENOSYL-L-HOMOCYSTEINE (SAH)
Descriptor:O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, GLYCEROL
Authors:Cooke, H.A., Bruner, S.D.
Deposit date:2009-07-03
Release date:2009-09-01
Last modified:2011-07-13
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
3I58
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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:O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, 2-hydroxy-7-methoxy-5-methyl naphthoic acid, ...
Authors:Cooke, H.A., Bruner, S.D.
Deposit date:2009-07-03
Release date:2009-09-01
Last modified:2011-07-13
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
3I5U
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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:O-methyltransferase, S-ADENOSYLMETHIONINE, 2-hydroxy-5-methyl naphthoic acid, ...
Authors:Cooke, H.A., Bruner, S.D.
Deposit date:2009-07-06
Release date:2009-09-01
Last modified:2011-07-13
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
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:O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, 1,4-dihydroxy-2-naphthoic acid, ...
Authors:Cooke, H.A., Bruner, S.D.
Deposit date:2009-07-06
Release date:2009-09-01
Last modified:2011-07-13
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
3KDY
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X-RAY CRYSTAL STRUCTURE OF TYROSINE AMINOMUTASE MUTANT CONSTRUCT
Descriptor:Histidine ammonia-lyase
Authors:Cooke, H.A., Bruner, S.D.
Deposit date:2009-10-23
Release date:2010-07-07
Last modified:2011-07-13
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
3KDZ
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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:2011-07-13
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
3TEJ
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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
4YHB
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CRYSTAL STRUCTURE OF A SIDEROPHORE UTILIZATION PROTEIN FROM T. FUSCA
Descriptor:Iron-chelator utilization protein, FLAVIN-ADENINE DINUCLEOTIDE, ZINC ION, ...
Authors:Li, K., Bruner, S.D.
Deposit date:2015-02-27
Release date:2015-07-15
Last modified:2019-12-25
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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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:2019-12-25
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Oxygen diffusion pathways in a cofactor-independent dioxygenase.
Chem Sci, 6, 2015
4Z3N
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CRYSTAL STRUCTURE OF THE MATE TRANSPORTER CLBM
Descriptor:Putative drug/sodium antiporter, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CACODYLATE ION
Authors:Mousa, J.J., Bruner, S.D.
Deposit date:2015-03-31
Release date:2016-01-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the MATE transporter ClbM
To Be Published
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