3TQ9
 
 | | Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with methotrexate | | Descriptor: | Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Franklin, M.C, Cassidy, M, Hillerich, B, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-11-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TQA
 | | Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with NADPH | | Descriptor: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Franklin, M.C, Cassidy, M, Hillerich, B, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-11-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TQ8
 | | Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with trimethoprim | | Descriptor: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM | | Authors: | Franklin, M.C, Cassidy, M, Hillerich, B, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-11-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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6CHK
 | | Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound TRIS | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SODIUM ION, ... | | Authors: | Patskovsky, Y, Toro, R, Shabalin, I.G, Kowiel, M, Porebski, P.J, Minor, W, Jaskolski, M, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative, E.F.I. | | Deposit date: | 2018-02-22 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Automatic recognition of ligands in electron density by machine learning.
Bioinformatics, 35, 2019
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4Y9T
 | | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS S4 (Avi_5305, TARGET EFI-511224) WITH BOUND ALPHA-D-GLUCOSAMINE | | Descriptor: | 2-amino-2-deoxy-alpha-D-glucopyranose, ABC transporter, solute binding protein | | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, 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: | 2015-02-17 | | Release date: | 2015-03-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structure of an ABC transporter solute-binding protein specific for the amino sugars glucosamine and galactosamine.
Acta Crystallogr.,Sect.F, 72, 2016
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3KLY
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3KLZ
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3M74
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3M7L
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3M75
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5BR1
 | | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS S4 (Avi_5305, TARGET EFI-511224) WITH BOUND ALPHA-D-GALACTOSAMINE | | Descriptor: | 2-amino-2-deoxy-alpha-D-galactopyranose, ABC transporter, binding protein | | Authors: | Yadava, U, 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: | 2015-05-29 | | Release date: | 2015-06-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of an ABC transporter solute-binding protein specific for the amino sugars glucosamine and galactosamine.
Acta Crystallogr.,Sect.F, 72, 2016
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4KTO
 | | Crystal Structure Of a Putative Isovaleryl-CoA dehydrogenase (PSI-NYSGRC-012251) from Sinorhizobium meliloti 1021 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, isovaleryl-CoA dehydrogenase | | Authors: | Kumar, P.R, Ahmed, M, Attonito, J, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Glenn, A.S, Hammonds, J, Hillerich, B, Himmel, D, Love, J.D, Seidel, R, Stead, M, Toro, R, Wasserman, S.R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-05-20 | | Release date: | 2013-06-19 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.137 Å) | | Cite: | Crystal structure of a Putative Isovaleryl-CoA dehydrogenase from Sinorhizobium meliloti 1021
to be published
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4KNP
 | | Crystal Structure Of a Putative enoyl-coA hydratase (PSI-NYSGRC-019597) from Mycobacterium avium paratuberculosis K-10 | | Descriptor: | enoyl-CoA hydratase | | Authors: | Kumar, P.R, Ahmed, M, Attonito, J, Bhosle, R, Chamala, S, Chowdhury, S, Glenn, A.S, Hammonds, J, Hillerich, B, Love, J.D, Seidel, R, Stead, M, Toro, R, Wasserman, S.R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-05-10 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Crystal structure of a Putative enoyl-coA hydratase from Mycobacterium avium paratuberculosis K-10
to be published
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4LN5
 | | Crystal structure of a trap periplasmic solute binding protein from burkholderia ambifaria (Bamb_6123), TARGET EFI-510059, with bound glycerol and chloride ion | | Descriptor: | CHLORIDE ION, GLYCEROL, TRAP dicarboxylate transporter, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-07-11 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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4RS3
 | | Crystal structure of carbohydrate transporter A0QYB3 from Mycobacterium smegmatis str. MC2 155, target EFI-510969, in complex with xylitol | | Descriptor: | ABC transporter, carbohydrate uptake transporter-2 (CUT2) family, periplasmic sugar-binding protein, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-11-06 | | Release date: | 2014-11-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A General Strategy for the Discovery of Metabolic Pathways: d-Threitol, l-Threitol, and Erythritol Utilization in Mycobacterium smegmatis.
J.Am.Chem.Soc., 137, 2015
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4RSM
 | | Crystal structure of carbohydrate transporter msmeg_3599 from mycobacterium smegmatis str. mc2 155, target efi-510970, in complex with d-threitol | | Descriptor: | D-Threitol, Periplasmic binding protein/LacI transcriptional regulator | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-11-08 | | Release date: | 2014-12-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A General Strategy for the Discovery of Metabolic Pathways: d-Threitol, l-Threitol, and Erythritol Utilization in Mycobacterium smegmatis.
J.Am.Chem.Soc., 137, 2015
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4MCO
 | | Crystal structure of a TRAP periplasmic solute binding protein from Rhodoferax ferrireducens (Rfer_1840), target EFI-510211, with bound malonate | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MALONATE ION, TRAP dicarboxylate transporter-DctP subunit | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, 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: | 2013-08-21 | | Release date: | 2013-09-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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4MEV
 | | Crystal structure of a TRAP periplasmic solute binding protein from Rhodoferax ferrireducens (Rfer_1840), Target EFI-510211, with bound malonate, space group I422 | | Descriptor: | CITRIC ACID, MALONATE ION, TRAP dicarboxylate transporter-DctP subunit | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, 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: | 2013-08-27 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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4MHF
 | | Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_3107), target EFI-510173, with bound alpha/beta D-Glucuronate, space group P21 | | Descriptor: | TRAP dicarboxylate transporter, DctP subunit, alpha-D-glucopyranuronic acid, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, 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: | 2013-08-29 | | Release date: | 2013-09-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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4MIJ
 | | Crystal structure of a Trap periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_3107), target EFI-510173, with bound alpha/beta D-Galacturonate, space group P21 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, TRAP dicarboxylate transporter, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, 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: | 2013-08-31 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | 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
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4NBQ
 | | Structure of the polynucleotide phosphorylase (CBU_0852) from Coxiella burnetii | | Descriptor: | Polyribonucleotide nucleotidyltransferase, SULFATE ION | | Authors: | Rudolph, M.J, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2013-10-23 | | Release date: | 2015-06-17 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.9138 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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4N4U
 | | Crystal structure of ABC transporter solute binding protein BB0719 from Bordetella bronchiseptica RB50, TARGET EFI-510049 | | Descriptor: | GLYCEROL, Putative ABC transporter periplasmic solute-binding protein | | Authors: | Patskovsky, Y, Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, 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: | 2013-10-08 | | Release date: | 2013-10-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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4NG4
 | | Structure of phosphoglycerate kinase (CBU_1782) from Coxiella burnetii | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoglycerate kinase | | Authors: | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2013-11-01 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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4NN3
 | | Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio salexigens (Desal_2161), Target EFI-510109, with bound orotic acid | | Descriptor: | CHLORIDE ION, OROTIC ACID, TRAP dicarboxylate transporter, ... | | 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: | 2013-11-16 | | Release date: | 2013-12-04 | | Last modified: | 2024-04-03 | | 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
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4NQ8
 | | Crystal structure of a trap periplasmic solute binding protein from Bordetella bronchispeptica (bb3421), target EFI-510039, with density modeled as pantoate | | Descriptor: | CHLORIDE ION, PANTOATE, Putative periplasmic substrate-binding transport 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: | 2013-11-24 | | Release date: | 2014-01-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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