5U9T
 
 | | The Tris-thiolate Zn(II)S3Cl Binding Site Engineered by D-Cysteine Ligands in de Novo Three-stranded Coiled Coil Environment | | Descriptor: | ACETATE ION, CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Ruckthong, L, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2016-12-18 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils.
Chemistry, 23, 2017
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4MK3
 | | Crystal structure of a glutathione transferase family member from Cupriavidus metallidurans CH34, target EFI-507362, with bound glutathione sulfinic acid (gso2h) | | Descriptor: | Glutathione S-transferase, L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, MAGNESIUM ION, ... | | Authors: | Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-09-04 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Crystal structure of a glutathione transferase family member from Cupriavidus metallidurans CH34, target EFI-507362, with bound glutathione sulfinic acid (gso2h)
To be published
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4MNC
 | | Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_4736), Target EFI-510156, with bound benzoyl formate, space group P21 | | Descriptor: | BENZOYL-FORMIC ACID, SULFATE 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, 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: | 2013-09-10 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.05 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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4MPI
 | | Crystal structure of the chitin-binding module (CBM18) of a chitinase-like protein from Hevea brasiliensis | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Class I chitinase | | Authors: | Martinez-Caballero, C.S, Hermoso, J.A, Rodriguez-Romero, A. | | Deposit date: | 2013-09-12 | | Release date: | 2014-08-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Comparative study of two GH19 chitinase-like proteins from Hevea brasiliensis, one exhibiting a novel carbohydrate-binding domain.
Febs J., 281, 2014
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5UFQ
 | | K-RasG12D(GNP)/R11.1.6 complex | | Descriptor: | CADMIUM ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Parker, J.A, Mattos, C. | | Deposit date: | 2017-01-05 | | Release date: | 2017-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | An engineered protein antagonist of K-Ras/B-Raf interaction.
Sci Rep, 7, 2017
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5TXX
 | | DNA Polymerase Mu Pre-Catalytic Ground State Ternary Complex, Ca2+ | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Jamsen, J.A, Wilson, S.H. | | Deposit date: | 2016-11-17 | | Release date: | 2017-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.948 Å) | | Cite: | Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
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5UHW
 | | Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+ and Magnesium | | Descriptor: | MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase protein | | Authors: | Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2017-01-12 | | Release date: | 2017-01-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+ and Magnesium
To be published
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5U1Q
 | | Grb7-SH2 with bicyclic peptide inhibitor | | Descriptor: | CHLORIDE ION, Growth factor receptor-bound protein 7, LYS-PHE-GLU-GLY-TYR-ASP-ASN-GLU-CST | | Authors: | Watson, G.M, Wilce, M.C.J, Wilce, J.A. | | Deposit date: | 2016-11-28 | | Release date: | 2017-11-15 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery, Development, and Cellular Delivery of Potent and Selective Bicyclic Peptide Inhibitors of Grb7 Cancer Target.
J. Med. Chem., 60, 2017
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5UHZ
 | | Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, D-Apionate and Magnesium | | Descriptor: | (3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2017-01-12 | | Release date: | 2017-02-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, D-Apionate and Magnesium
To be published
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5UCE
 | | Solution NMR structure of the major species of DANCER-2, a dynamic and natively folded pentamutant of the B1 domain of streptococcal protein G (GB1) | | Descriptor: | Immunoglobulin G-binding protein G | | Authors: | Damry, A.M, Davey, J.A, Goto, N.K, Chica, R.A. | | Deposit date: | 2016-12-22 | | Release date: | 2017-08-23 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Rational design of proteins that exchange on functional timescales.
Nat. Chem. Biol., 13, 2017
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5UCF
 | | Solution NMR-derived model of the minor species of DANCER-2, a dynamic and natively folded pentamutant of the B1 domain of streptococcal protein G (GB1) | | Descriptor: | Immunoglobulin G-binding protein G | | Authors: | Damry, A.M, Davey, J.A, Goto, N.K, Chica, R.A. | | Deposit date: | 2016-12-22 | | Release date: | 2017-08-23 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Rational design of proteins that exchange on functional timescales.
Nat. Chem. Biol., 13, 2017
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5UB0
 | | Solution NMR Structure of NERD-C, a natively folded tetramutant of the B1 domain of streptococcal protein G (GB1) | | Descriptor: | Immunoglobulin G-binding protein G | | Authors: | Damry, A.M, Davey, J.A, Goto, N.K, Chica, R.A. | | Deposit date: | 2016-12-20 | | Release date: | 2017-08-23 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Rational design of proteins that exchange on functional timescales.
Nat. Chem. Biol., 13, 2017
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4MST
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4N15
 | | Crystal structure of a TRAP periplasmic solute binding protein from Burkholderia ambifaria (BAM_6123), Target EFI-510059, with bound beta-D-glucuronate | | Descriptor: | MAGNESIUM ION, TRAP dicarboxylate transporter, DctP subunit, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, 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: | 2013-10-03 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.651 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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4N2Y
 | | Crystal structure of orotidine 5'-monophosphate decarboxylase from Archaeoglobus fulgidus | | Descriptor: | GLYCEROL, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2013-10-06 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.549 Å) | | Cite: | Crystal structure of orotidine 5'-monophosphate decarboxylase from Archaeoglobus fulgidus
To be Published
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5UIB
 | | Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, L-tartaric acid and Magnesium | | Descriptor: | L(+)-TARTARIC ACID, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2017-01-13 | | Release date: | 2017-01-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, L-tartaric acid and Magnesium
To be published
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5UIA
 | | Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, R-2,3-dihydroxyisovalerate and Magnesium | | Descriptor: | (2S)-2,3-dihydroxy-3-methylbutanoic acid, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2017-01-13 | | Release date: | 2017-02-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, R-2,3-dihydroxyisovalerate and Magnesium
To be published
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4MIU
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4MMW
 | | Crystal structure of D-glucarate dehydratase from Agrobacterium tumefaciens complexed with magnesium, L-Xylarohydroxamate and L-Lyxarohydroxamate | | Descriptor: | (2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID, CHLORIDE ION, Isomerase/lactonizing enzyme, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2013-09-09 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.647 Å) | | Cite: | Crystal structure of D-glucarate dehydratase from Agrobacterium tumefaciens complexed with magnesium, L-Xylarohydroxamate and L-Lyxarohydroxamate
To be Published
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4MSD
 | | Crystal structure of Schizosaccharomyces pombe AMSH-like protein SST2 T319I mutant | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, AMSH-like protease sst2, ... | | Authors: | Shrestha, R.K, Ronau, J.A, Das, C. | | Deposit date: | 2013-09-18 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights into the Mechanism of Deubiquitination by JAMM Deubiquitinases from Cocrystal Structures of the Enzyme with the Substrate and Product.
Biochemistry, 53, 2014
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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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5T57
 | | Crystal Structure of a Semialdehyde dehydrogenase NAD-binding Protein from Cupriavidus necator in Complex with Calcium and NAD | | Descriptor: | CALCIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Semialdehyde dehydrogenase NAD-binding protein, ... | | Authors: | Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2016-08-30 | | Release date: | 2016-09-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of a Semialdehyde dehydrogenase NAD-binding Protein from Cupriavidus necator in Complex with Calcium and NAD
To be published
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4MNI
 | | Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_4736), Target EFI-510156, with bound benzoyl formate, space group P6522 | | Descriptor: | BENZOYL-FORMIC ACID, 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, 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: | 2013-09-10 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 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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4NAV
 | | Crystal structure of hypothetical protein XCC2798 from Xanthomonas campestris, Target EFI-508608 | | Descriptor: | HYPOTHETICAL PROTEIN XCC279 | | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Zhao, S.C, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-10-22 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Crystal structure of hypothetical protein XCC2798 from Xanthomonas campestris, Target EFI-508608
TO BE PUBLISHED
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4MZL
 | | Crystal Structure of MTIP from Plasmodium falciparum in complex with HBS myoA, a hydrogen bond surrogate myoA helix mimetic | | Descriptor: | Myosin A tail domain interacting protein, hydrogen bond surrogate (HBS) myoA helix mimetic | | Authors: | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | | Deposit date: | 2013-09-30 | | Release date: | 2013-11-06 | | Last modified: | 2023-06-07 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
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