4MUZ
| Crystal structure of orotidine 5'-monophosphate decarboxylase from Archaeoglobus fulgidus complexed with inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2013-09-23 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Crystal structure of orotidine 5'-monophosphate decarboxylase from Archaeoglobus fulgidus complexed with inhibitor BMP To be Published
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4N9P
| Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/L25A/V99T at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2013-10-21 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Cavities in proteins To be Published
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4PDD
| CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM POLAROMONAS SP JS666 (Bpro_0088, TARGET EFI-510167) BOUND TO D-ERYTHRONATE | Descriptor: | (2R,3R)-2,3,4-trihydroxybutanoic acid, FORMIC ACID, MALONIC ACID, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-18 | Release date: | 2014-05-14 | Last modified: | 2023-09-27 | 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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4PF6
| CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM ROSEOBACTER DENITRIFICANS (RD1_0742, TARGET EFI-510239) WITH BOUND 3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID (KDO) | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, C4-dicarboxylate-binding protein, SULFATE ION, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-28 | Release date: | 2014-05-14 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.75 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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4PEM
| Crystal Structure of S1G mutant of Penicillin G Acylase from Kluyvera citrophila | Descriptor: | CALCIUM ION, Penicillin G acylase Alpha, Penicillin G acylase Beta | Authors: | Ramasamy, S, Varshney, N.K, Brannigan, J.A, Wilkinson, A.J, Suresh, C.G. | Deposit date: | 2014-04-24 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of S1G mutant of Penicillin G Acylase from Kluyvera citrophilla To be Published
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4PF8
| CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFITOBACTER sp. NAS-14.1 (TARGET EFI-510299) WITH BOUND BETA-D-GALACTURONATE | Descriptor: | CHLORIDE ION, TRAP-T family transporter, DctP (Periplasmic binding) subunit, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-28 | Release date: | 2014-05-14 | Last modified: | 2023-11-15 | 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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4PG1
| Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound | Descriptor: | (1S,2S)-2-nonylcyclopropanecarboxylic acid, Aldehyde decarbonylase, DIMETHYL SULFOXIDE, ... | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2014-05-01 | Release date: | 2014-11-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound. Acs Chem.Biol., 9, 2014
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4PGN
| CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO ALASKENSIS G20 (Dde_0634, TARGET EFI-510120) WITH BOUND INDOLE PYRUVATE | Descriptor: | 1,2-ETHANEDIOL, 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, Extracellular solute-binding protein, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-05-02 | Release date: | 2014-05-28 | 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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4PGI
| Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Analogs Bound | Descriptor: | 1,2-ETHANEDIOL, 11-[2-(2-ethoxyethoxy)ethoxy]undecanal, Aldehyde decarbonylase, ... | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2014-05-02 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound. Acs Chem.Biol., 9, 2014
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4PPE
| human RNF4 RING domain | Descriptor: | E3 ubiquitin-protein ligase RNF4, ZINC ION | Authors: | Perry, J.J, Arvai, A.S, Hitomi, C, Tainer, J.A. | Deposit date: | 2014-02-26 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | RNF4 interacts with both SUMO and nucleosomes to promote the DNA damage response. Embo Rep., 15, 2014
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4PFB
| Crystal structure of a TRAP periplasmic solute binding protein from Fusobacterium nucleatun (FN1258, TARGET EFI-510120) with bound SN-glycerol-3-phosphate | Descriptor: | C4-dicarboxylate-binding protein, IMIDAZOLE, SN-GLYCEROL-3-PHOSPHATE, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-28 | Release date: | 2014-05-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 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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4PRF
| A Second Look at the HDV Ribozyme Structure and Dynamics. | Descriptor: | Hepatitis Delta virus ribozyme, STRONTIUM ION, U1 small nuclear ribonucleoprotein A | Authors: | Kapral, G.J, Jain, S, Noeske, J, Doudna, J.A, Richardson, D.C, Richardson, J.S. | Deposit date: | 2014-03-05 | Release date: | 2014-10-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.395 Å) | Cite: | New tools provide a second look at HDV ribozyme structure, dynamics and cleavage. Nucleic Acids Res., 42, 2014
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4PRU
| Crystal structure of dimethyllysine hen egg-white lysozyme in complex with sclx4 at 2.2 A resolution | Descriptor: | 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, GLYCEROL, Lysozyme C | Authors: | McGovern, R.E, Lyons, J.A, Crowley, P.B. | Deposit date: | 2014-03-06 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural study of a small molecule receptor bound to dimethyllysine in lysozyme. Chem Sci, 6, 2015
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4PTS
| Crystal structure of a glutathione transferase from Gordonia bronchialis DSM 43247, target EFI-507405 | Descriptor: | glutathione S-transferase | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, 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: | 2014-03-11 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Crystal structure of a glutathione transferase from Gordonia bronchialis DSM 43247, target EFI-507405 To be Published
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4OXF
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4MSJ
| Crystal structure of S. pombe AMSH-like protease SST2 catalytic domain from P212121 space group | Descriptor: | 1,2-ETHANEDIOL, AMSH-like protease sst2, GLYCINE, ... | 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 (1.8 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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4MZJ
| Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[801,805], a stapled myoA tail peptide | Descriptor: | Myosin A tail domain interacting protein, Myosin-A | 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: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.474 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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4MZ4
| Discovery of an Irreversible HCV NS5B Polymerase Inhibitor | Descriptor: | 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase | Authors: | Zeng, Q, Anilkumar, G.N, Rosenblum, S.B, Huang, H.-C, Lesburg, C.A, Jiang, Y, Selyutin, O, Chan, T.-Y, Bennett, F, Chen, K.X, Venkatraman, S, Sannigrahi, M, Velazquez, F, Duca, J.S, Gavalas, S, Huang, Y, Pu, H, Wang, L, Pinto, P, Vibulbhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Li, C, Hesk, D, Gesell, J, Sorota, S, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | Deposit date: | 2013-09-29 | Release date: | 2013-12-11 | Last modified: | 2013-12-18 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery of an irreversible HCV NS5B polymerase inhibitor. Bioorg.Med.Chem.Lett., 23, 2013
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4N17
| Crystal structure of a TRAP periplasmic solute binding protein from Burkholderia ambifaria (BAM_6123), Target EFI-510059, With bound beta-D-galacturonate | Descriptor: | CALCIUM ION, CHLORIDE ION, TRAP dicarboxylate transporter, ... | 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 (1.501 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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4N6K
| Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio salexigens DSM2638, Target EFI-510113 (Desal_0342), complex with diglycerolphosphate | Descriptor: | TRAP dicarboxylate transporter-DctP subunit, bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate | 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: | 2013-10-13 | Release date: | 2013-11-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.2 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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4N91
| Crystal structure of a trap periplasmic solute binding protein from anaerococcus prevotii dsm 20548 (Apre_1383), target EFI-510023, with bound alpha/beta d-glucuronate | Descriptor: | CHLORIDE ION, TETRAETHYLENE GLYCOL, 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: | 2013-10-18 | Release date: | 2013-11-13 | Last modified: | 2024-10-16 | 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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4MS7
| Crystal structure of Schizosaccharomyces pombe sst2 catalytic domain | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMSH-like protease sst2, ... | Authors: | Shrestha, R.K, Ronau, J.A, Das, C. | Deposit date: | 2013-09-18 | Release date: | 2014-06-18 | Method: | X-RAY DIFFRACTION (1.673 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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4MSM
| Crystal structure of Schizosaccharomyces pombe AMSH-like protease sst2 E286A mutant bound to ubiquitin | Descriptor: | 1,2-ETHANEDIOL, AMSH-like protease sst2, PHOSPHATE ION, ... | 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 (1.74 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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4MUP
| Crystal structure of Agrobacterium tumefaciens ATU3138 (EFI target 505157), apo structure | Descriptor: | AMIDOHYDROLASE | Authors: | Vetting, M.W, Bouvier, J.T, Groninger-Poe, F, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-09-23 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of Agrobacterium tumefaciens ATU3138 (EFI target 505157), apo structure To be Published
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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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