4O94
 
 | | Crystal structure of a trap periplasmic solute binding protein from Rhodopseudomonas palustris HaA2 (RPB_3329), Target EFI-510223, with bound succinate | | Descriptor: | CHLORIDE ION, SUCCINIC ACID, 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: | 2014-01-01 | | Release date: | 2014-01-22 | | Last modified: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (2 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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4OVP
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFITOBACTER sp. NAS-14.1, TARGET EFI-510292, WITH BOUND ALPHA-D-MANURONATE | | Descriptor: | C4-dicarboxylate transport system substrate-binding protein, alpha-D-mannopyranuronic acid | | 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: | 2013-12-11 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 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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4OVQ
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM ROSEOBACTER DENITRIFICANS, TARGET EFI-510230, WITH BOUND BETA-D-GLUCURONATE | | Descriptor: | CHLORIDE ION, TRAP dicarboxylate ABC transporter, substrate-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: | 2013-12-11 | | Release date: | 2014-01-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.501 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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6RWF
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5B86
 | | Crystal structure of M-Sec | | Descriptor: | Tumor necrosis factor alpha-induced protein 2 | | Authors: | Yamashita, M, Sato, Y, Yamagata, A, Fukai, S. | | Deposit date: | 2016-06-12 | | Release date: | 2016-10-12 | | Last modified: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (3.017 Å) | | Cite: | Distinct Roles for the N- and C-terminal Regions of M-Sec in Plasma Membrane Deformation during Tunneling Nanotube Formation.
Sci Rep, 6, 2016
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4NGU
 | | 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
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4NHB
 | | 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
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7Z3C
 | | Solution structure of GltJ GYF domain from Myxococcus xanthus | | Descriptor: | Adventurous gliding motility protein X | | Authors: | Attia, B, My, L, Castaing, J.P, Le Guenno, H, Espinosa, L, Schmidt, V, Nouailler, M, Bornet, O, Elantak, L, Mignot, T. | | Deposit date: | 2022-03-02 | | Release date: | 2023-02-22 | | Last modified: | 2024-09-04 | | Method: | SOLUTION NMR | | Cite: | A molecular switch controls assembly of bacterial focal adhesions.
Sci Adv, 10, 2024
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1DKC
 | | SOLUTION STRUCTURE OF PAFP-S, AN ANTIFUNGAL PEPTIDE FROM THE SEEDS OF PHYTOLACCA AMERICANA | | Descriptor: | ANTIFUNGAL PEPTIDE | | Authors: | Wang, D.C, Gao, G.H, Shao, F, Dai, J.X, Wang, J.F. | | Deposit date: | 1999-12-07 | | Release date: | 2000-12-13 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of PAFP-S: a new knottin-type antifungal peptide from the seeds of Phytolacca americana
Biochemistry, 40, 2001
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6EPA
 | | Structure of dNCS-1 bound to the NCS-1/Ric8a protein/protein interaction regulator IGS-1.76 | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, FI18190p1, ... | | Authors: | Sanchez-Barrena, M.J, Daniel, M, Infantes, L. | | Deposit date: | 2017-10-11 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Deciphering the Inhibition of the Neuronal Calcium Sensor 1 and the Guanine Exchange Factor Ric8a with a Small Phenothiazine Molecule for the Rational Generation of Therapeutic Synapse Function Regulators.
J. Med. Chem., 61, 2018
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4O8M
 | | Crystal structure of a trap periplasmic solute binding protein actinobacillus succinogenes 130z, target EFI-510004, with bound L-galactonate | | Descriptor: | CHLORIDE ION, L-galactonic acid, 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: | 2013-12-28 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 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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4O7M
 | | Crystal structure of a trap periplasmic solute binding protein from shewanella loihica PV-4, target EFI-510273, with bound L-malate | | Descriptor: | (2S)-2-hydroxybutanedioic acid, SULFATE ION, 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: | 2013-12-25 | | Release date: | 2014-03-05 | | Last modified: | 2015-02-25 | | 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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4MV8
 | | Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with AMPPCP and Phosphate | | Descriptor: | Biotin carboxylase, PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L. | | Deposit date: | 2013-09-23 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase.
Biochemistry, 54, 2015
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4MX6
 | | 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
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4N6D
 | | 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
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2JF6
 | | Structure of inactive mutant of Strictosidine Glucosidase in complex with strictosidine | | Descriptor: | METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE, STRICTOSIDINE-O-BETA-D-GLUCOSIDASE | | Authors: | Barleben, L, Panjikar, S, Ruppert, M, Koepke, J, Stockigt, J. | | Deposit date: | 2007-01-26 | | Release date: | 2008-02-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Molecular Architecture of Strictosidine Glucosidase - the Gateway to the Biosynthesis of the Monoterpenoid Indole Alkaloid Family
Plant Cell, 19, 2007
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7NC0
 | | The structure of the humanised A33 Fab C226S variant, an immunotherapy candidate for colorectal cancer | | Descriptor: | A33 Fab heavy chain, A33 Fab light chain | | Authors: | Tang, J, Zhang, C, Dalby, P, Kozielski, F. | | Deposit date: | 2021-01-28 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structure of the humanised A33 Fab C226S variant, an immunotherapy candidate for colorectal cancer
To Be Published
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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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7NFA
 | | The structure of the humanised A33 Fab C226S variant, an immunotherapy candidate for colorectal cancer | | Descriptor: | A33 Fab heavy chain, A33 Fab light chain | | Authors: | Tang, J, Zhang, C, Dalby, P, Kozielski, F. | | Deposit date: | 2021-02-05 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of the humanised A33 Fab C226S variant, an immunotherapy candidate for colorectal cancer
To Be Published
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4OVS
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFUROSPIRILLUM DELEYIANUM DSM 6946 (Sdel_0447), TARGET EFI-510309, WITH BOUND SUCCINATE | | Descriptor: | CHLORIDE ION, SUCCINIC 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: | 2013-12-13 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-27 | | 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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4CMX
 | | Crystal structure of Rv3378c | | Descriptor: | 1,2-ETHANEDIOL, BENZENE HEXACARBOXYLIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B. | | Deposit date: | 2014-01-18 | | Release date: | 2014-02-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1MT6
 | | Structure of histone H3 K4-specific methyltransferase SET7/9 with AdoHcy | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SET9 | | Authors: | Jacobs, S.A, Harp, J.M, Devarakonda, S, Kim, Y, Rastinejad, F, Khorasanizadeh, S. | | Deposit date: | 2002-09-20 | | Release date: | 2002-11-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The active site of the SET domain is constructed on a knot
Nat.Struct.Biol., 9, 2002
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7JVI
 | | Crystal structure of a beta-helix domain retrieved from capybara gut metagenome | | Descriptor: | Beta-helix domain, CALCIUM ION | | Authors: | Martins, M.P, Genoroso, W.C, Domingues, M.N, Persinoti, G.F, Morais, M.A.B, Murakami, M.T. | | Deposit date: | 2020-08-21 | | Release date: | 2021-09-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Gut microbiome of the largest living rodent harbors unprecedented enzymatic systems to degrade plant polysaccharides.
Nat Commun, 13, 2022
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7JVH
 | | Crystal structure of a GH43_12 retrieved from capybara gut metagenome | | Descriptor: | GLYCEROL, Glycoside Hydrolase Family 43_12 | | Authors: | Cabral, L, Domingues, M.N, Martins, M.P, Persinoti, G.F, Morais, M.A.B, Murakami, M.T. | | Deposit date: | 2020-08-21 | | Release date: | 2021-09-08 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Crystal structure of a GH43_12 retrieved from capybara gut metagenome
To Be Published
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4CMW
 | | Crystal structure of Rv3378c | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B. | | Deposit date: | 2014-01-18 | | Release date: | 2014-02-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.209 Å) | | Cite: | Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C.
Proc.Natl.Acad.Sci.USA, 111, 2014
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