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4MX6
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BU of 4mx6 by Molmil
Crystal structure of a trap periplasmic solute binding protein from shewanella oneidensis (SO_3134), target EFI-510275, with bound succinate
Descriptor: CHLORIDE ION, SUCCINIC ACID, TRAP-type C4-dicarboxylate:H+ symport system substrate-binding component DctP
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-09-25
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4N6D
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BU of 4n6d by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio salexigens DSM2638 (Desal_3247), Target EFI-510112, phased with I3C, open complex, C-terminus of symmetry mate bound in ligand binding site
Descriptor: 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CHLORIDE ION, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-10-11
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4NAP
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BU of 4nap by Molmil
Crystal structure of a trap periplasmic solute binding protein from Desulfovibrio alaskensis G20 (DDE_0634), target EFI-510102, with bound d-tryptophan
Descriptor: D-TRYPTOPHAN, Extracellular solute-binding protein, family 7
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-10-22
Release date:2013-11-13
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4N8G
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BU of 4n8g by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0660), Target EFI-501075, with bound D-alanine-D-alanine
Descriptor: CHLORIDE ION, D-ALANINE, SULFATE ION, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-10-17
Release date:2013-10-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4NGU
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BU of 4ngu by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio alaskensis G20 (Dde_1548), Target EFI-510103, with bound D-Ala-D-Ala
Descriptor: CHLORIDE ION, D-ALANINE, SULFATE ION, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-11-02
Release date:2013-12-04
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4NHB
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BU of 4nhb by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio desulfuricans (Ddes_1525), Target EFI-510107, with bound sn-glycerol-3-phosphate
Descriptor: IODIDE ION, SN-GLYCEROL-3-PHOSPHATE, TRAP dicarboxylate transporter-DctP subunit
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-11-04
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4NF0
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BU of 4nf0 by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM PSEUDOMONAS AERUGINOSA PAO1 (PA4616), TARGET EFI-510182, WITH BOUND L-Malate
Descriptor: (2S)-2-hydroxybutanedioic acid, Probable c4-dicarboxylate-binding protein, SULFATE ION
Authors:Vetting, M.W, Patskovsky, Y, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-10-30
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4NG7
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BU of 4ng7 by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Citrobacter koseri (CKO_04899), Target EFI-510094, apo, open structure
Descriptor: TRAP periplasmic solute binding protein
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-11-01
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4UAB
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BU of 4uab by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound ethanolamine
Descriptor: CHLORIDE ION, ETHANOLAMINE, Twin-arginine translocation pathway signal
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-08-08
Release date:2014-09-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4XFR
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BU of 4xfr by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group P6522
Descriptor: CITRIC ACID, Uncharacterized protein
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-12-28
Release date:2015-01-28
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XGJ
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BU of 4xgj by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, APO structure, domain swapped dimer
Descriptor: Uncharacterized protein
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-12-30
Release date:2015-02-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XFM
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BU of 4xfm by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, with bound D-threonate, domain swapped dimer
Descriptor: THREONATE ION, Uncharacterized protein
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-12-27
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XG0
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BU of 4xg0 by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group C2221
Descriptor: CHLORIDE ION, CITRIC ACID, SULFATE ION, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-12-30
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
4GIC
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BU of 4gic by Molmil
Crystal Structure Of a Putative Histidinol dehydrogenase (Target PSI-014034) from Methylococcus capsulatus
Descriptor: Histidinol dehydrogenase, SULFATE ION
Authors:Kumar, P.R, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Gizzi, A, Glen, S, Hammonds, J, Hillerich, B, Love, J.D, Seidel, R, Stead, M, Toro, R, Washington, E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-08-08
Release date:2012-08-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Crystal structure of a putative Histidinol dehydrogenase from Methylococcus capsulatus
to be published
4GI5
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BU of 4gi5 by Molmil
Crystal Structure Of a Putative quinone reductase from Klebsiella pneumoniae (Target PSI-013613)
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Kumar, P.R, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Gizzi, A, Glen, S, Hammonds, J, Hillerich, B, Love, J.D, Seidel, R, Stead, M, Toro, R, Washington, E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-08-08
Release date:2012-08-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a quinone reductase from Klebsiella pneumoniae with bound FAD
to be published
4F62
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BU of 4f62 by Molmil
Crystal structure of a putative farnesyl-diphosphate synthase from Marinomonas sp. MED121 (Target EFI-501980)
Descriptor: CHLORIDE ION, GLYCEROL, Geranyltranstransferase, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-05-14
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
6D9Z
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BU of 6d9z by Molmil
Structure of CysZ, a sulfate permease from Pseudomonas Denitrificans
Descriptor: Sulfate transporter CysZ, octyl beta-D-glucopyranoside
Authors:Sanghai, Z.A, Clarke, O.B, Liu, Q, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Mancia, F.
Deposit date:2018-04-30
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.4021318 Å)
Cite:Structure-based analysis of CysZ-mediated cellular uptake of sulfate.
Elife, 7, 2018
6D79
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BU of 6d79 by Molmil
Structure of CysZ, a sulfate permease from Pseudomonas Fragi
Descriptor: Sulfate transporter CysZ
Authors:Sanghai, Z.A, Liu, Q, Clarke, O.B, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Mancia, F.
Deposit date:2018-04-24
Release date:2018-05-16
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:Structure-based analysis of CysZ-mediated cellular uptake of sulfate.
Elife, 7, 2018
3TQW
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BU of 3tqw by Molmil
Structure of a ABC transporter, periplasmic substrate-binding protein from Coxiella burnetii
Descriptor: METHIONINE, Methionine-binding protein, SULFATE ION
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TRC
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BU of 3trc by Molmil
Structure of the GAF domain from a phosphoenolpyruvate-protein phosphotransferase (ptsP) from Coxiella burnetii
Descriptor: PHOSPHATE ION, Phosphoenolpyruvate-protein phosphotransferase, SODIUM ION
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQR
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BU of 3tqr by Molmil
Structure of the phosphoribosylglycinamide formyltransferase (purN) in complex with CHES from Coxiella burnetii
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Phosphoribosylglycinamide formyltransferase
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TR2
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BU of 3tr2 by Molmil
Structure of a orotidine 5'-phosphate decarboxylase (pyrF) from Coxiella burnetii
Descriptor: Orotidine 5'-phosphate decarboxylase
Authors:Cheung, J, Franklin, M, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TRH
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BU of 3trh by Molmil
Structure of a phosphoribosylaminoimidazole carboxylase catalytic subunit (purE) from Coxiella burnetii
Descriptor: Phosphoribosylaminoimidazole carboxylase carboxyltransferase subunit
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TTH
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BU of 3tth by Molmil
Structure of the spermidine N1-acetyltransferase (speG) from Coxiella burnetii
Descriptor: SULFATE ION, Spermidine N1-acetyltransferase
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-14
Release date:2011-11-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (3.298 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQN
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BU of 3tqn by Molmil
Structure of the transcriptional regulator of the GntR family, from Coxiella burnetii.
Descriptor: Transcriptional regulator, GntR family
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015

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