4NMZ
 
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23Q/V66A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Sorenson, J.L, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2013-11-15 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Cavities in proteins
To be Published
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6GS9
 | | NMR structure of aurein 2.5 in SDS micelles | | Descriptor: | Aurein 2.5 | | Authors: | Manzo, G, Mason, J.A. | | Deposit date: | 2018-06-13 | | Release date: | 2018-07-18 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Temporin L and aurein 2.5 have identical conformations but subtly distinct membrane and antibacterial activities.
Sci Rep, 9, 2019
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6GIJ
 | | NMR structure of temporin B KKG6A in SDS micelles | | Descriptor: | temporinB_KKG6A | | Authors: | Manzo, G, Mason, J.A. | | Deposit date: | 2018-05-12 | | Release date: | 2018-06-13 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Minor sequence modifications in temporin B cause drastic changes in antibacterial potency and selectivity by fundamentally altering membrane activity.
Sci Rep, 9, 2019
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4NT0
 | | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 3-deazauridine 5'-monophosphate | | Descriptor: | 4-hydroxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-2(1H)-one, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Iiams, V, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2013-11-29 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.769 Å) | | Cite: | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 3-deazauridine 5'-monophosphate
To be Published
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4O24
 | | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities | | Descriptor: | (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ... | | Authors: | Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A. | | Deposit date: | 2013-12-16 | | Release date: | 2014-01-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
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4PXO
 | | Crystal structure of Maleylacetoacetate isomerase from Methylobacteriu extorquens AM1 WITH BOUND MALONATE AND GSH (TARGET EFI-507068) | | Descriptor: | 1,2-ETHANEDIOL, GLUTATHIONE, MALONIC ACID, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-03-24 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of glutathione s-transferase zeta from Methylobacterium extorquens (TARGET EFI-507068)
To be Published
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6I4V
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6I8K
 | | Dye type peroxidase Aa from Streptomyces lividans: 164 kGy structure | | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | | Deposit date: | 2018-11-20 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
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4QF4
 | | Crystal structure of Staphylococcal nuclease variant V23M at cryogenic temperature | | Descriptor: | CALCIUM ION, PHOSPHATE ION, THYMIDINE-3',5'-DIPHOSPHATE, ... | | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno, E.B. | | Deposit date: | 2014-05-19 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Pressure effects in proteins
To be Published
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1XT5
 | | Crystal Structure of VCBP3, domain 1, from Branchiostoma floridae | | Descriptor: | SULFATE ION, variable region-containing chitin-binding protein 3 | | Authors: | Hernandez Prada, J.A, Haire, R.N, Cannon, J.P, Allaire, M, Jakoncic, J, Stojanoff, V, Litman, G.W, Ostrov, D.A. | | Deposit date: | 2004-10-21 | | Release date: | 2005-10-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Ancient evolutionary origin of diversified variable regions demonstrated by crystal structures of an immune-type receptor in amphioxus.
Nat.Immunol., 7, 2006
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4Q3Z
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6I6G
 | | Dehaloperoxidase B from Amphitrite ornata - complex with 5-bromoindole | | Descriptor: | 5-bromanyl-1~{H}-indole, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Moreno-Chicano, T, Ebrahim, A.E, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Duyvesteyn, H. | | Deposit date: | 2018-11-15 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography.
Iucrj, 6, 2019
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4NAX
 | | Crystal structure of glutathione transferase PPUT_1760 from Pseudomonas putida, target EFI-507288, with one glutathione disulfide bound per one protein subunit | | Descriptor: | FORMIC ACID, GLYCEROL, Glutathione S-transferase, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, 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 (1.301 Å) | | Cite: | Crystal structure of glutathione transferase Pput_1760 from Pseudomonas putida, target EFI-507288
To be Published
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4MPG
 | | Crystal structure of human glutathione transferase theta-2, complex with glutathione and unknown ligand, target EFI-507257 | | Descriptor: | FORMIC ACID, GLUTATHIONE, Glutathione S-transferase theta-2, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-09-12 | | Release date: | 2013-09-25 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Crystal Structure of Human Glutathione S-Transferase Theta-2 (Target EFI-507257)
To be Published
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6I7Z
 | | Dye type peroxidase Aa from Streptomyces lividans: 32.8 kGy structure | | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | | Deposit date: | 2018-11-19 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
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4N8Y
 | | Crystal structure of a trap periplasmic solute binding protein from bradyrhizobium sp. btai1 b (bbta_0128), target EFI-510056 (bbta_0128), complex with alpha/beta-d-galacturonate | | Descriptor: | Putative TRAP-type C4-dicarboxylate transport system, binding periplasmic protein (DctP subunit), alpha-D-galactopyranuronic 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: | 2013-10-18 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | 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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6I8E
 | | Dye type peroxidase Aa from Streptomyces lividans: 65.6 kGy structure | | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | | Deposit date: | 2018-11-20 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
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6I91
 | | Dye type peroxidase Aa from Streptomyces lividans: 156.8 kGy structure | | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | | Deposit date: | 2018-11-22 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation sensitive metalloproteins
To be published
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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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4MPF
 | | Crystal structure of human glutathione transferase theta-2, complex with inorganic phosphate, GSH free, target EFI-507257 | | Descriptor: | Glutathione S-transferase theta-2, L(+)-TARTARIC ACID, PHOSPHATE ION | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-09-12 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Human Glutathione S-Transferase Theta-2 (Target Efi-507257)
To be Published
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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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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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3E4R
 | | Crystal structure of the alkanesulfonate binding protein (SsuA) from the phytopathogenic bacteria Xanthomonas axonopodis pv. citri bound to HEPES | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Nitrate transport protein | | Authors: | Balan, A, Araujo, F.T, Sanches, M, Chirgadze, D.Y, Blundell, T.B, Barbosa, J.A.R.G. | | Deposit date: | 2008-08-12 | | Release date: | 2008-09-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structure of the alkanesulfonate binding protein (SsuA) from the phytopathogenic bacteria Xanthomonas axonopodis pv. citri bound to HEPES
To be Published
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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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