4MSM
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![BU of 4msm by Molmil](/molmil-images/mine/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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4MS7
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![BU of 4ms7 by Molmil](/molmil-images/mine/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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4MUP
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![BU of 4mup by Molmil](/molmil-images/mine/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
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![BU of 4mx6 by Molmil](/molmil-images/mine/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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6HWX
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![BU of 6hwx by Molmil](/molmil-images/mine/6hwx) | Mature MLV capsid hexamer structure in intact virus particles | Descriptor: | Putative gag polyprotein | Authors: | Qu, K, Glass, B, Dolezal, M, Schur, F.K.M, Rein, A, Rumlova, M, Ruml, T, Kraeusslich, H.G, Briggs, J.A.G. | Deposit date: | 2018-10-15 | Release date: | 2018-12-05 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (7.2 Å) | Cite: | Structure and architecture of immature and mature murine leukemia virus capsids. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4N0V
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![BU of 4n0v by Molmil](/molmil-images/mine/4n0v) | Crystal structure of a glutathione S-transferase domain-containing protein (Marinobacter aquaeolei VT8), Target EFI-507332 | Descriptor: | Glutathione S-transferase, N-terminal domain | 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: | 2013-10-02 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a glutathione S-transferase domain-containing protein (Marinobacter aquaeolei VT8), Target EFI-507332 TO BE PUBLISHED
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4N6D
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![BU of 4n6d by Molmil](/molmil-images/mine/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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4MUZ
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![BU of 4muz by Molmil](/molmil-images/mine/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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6I05
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![BU of 6i05 by Molmil](/molmil-images/mine/6i05) | |
4QOH
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![BU of 4qoh by Molmil](/molmil-images/mine/4qoh) | Crystal structure of fad quinone reductase 2 in complex with resveratrol at 1.6A | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, RESVERATROL, ... | Authors: | Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G. | Deposit date: | 2014-06-20 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of fad quinone reductase 2 in complex
with resveratrol at 1.6A To be Published
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4PX8
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![BU of 4px8 by Molmil](/molmil-images/mine/4px8) | Structure of P. vulgaris HigB toxin | Descriptor: | CHLORIDE ION, Killer protein | Authors: | Schureck, M.A, Dunkle, J.A, Maehigashi, T, Dunham, C.M. | Deposit date: | 2014-03-22 | Release date: | 2015-10-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Defining the mRNA recognition signature of a bacterial toxin protein. Proc.Natl.Acad.Sci.USA, 112, 2015
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4Q3Y
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![BU of 4q3y by Molmil](/molmil-images/mine/4q3y) | |
4Q9Q
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![BU of 4q9q by Molmil](/molmil-images/mine/4q9q) | Crystal structure of an RNA aptamer bound to bromo-ligand analog in complex with Fab | Descriptor: | (5Z)-5-(3-bromobenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, Fab BL3-6, HEAVY CHAIN, ... | Authors: | Huang, H, Suslov, N.B, Li, N.-S, Shelke, S.A, Evans, M.E, Koldobskaya, Y, Rice, P.A, Piccirilli, J.A. | Deposit date: | 2014-05-01 | Release date: | 2014-06-18 | Last modified: | 2017-07-26 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A G-quadruplex-containing RNA activates fluorescence in a GFP-like fluorophore. Nat.Chem.Biol., 10, 2014
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4PX1
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![BU of 4px1 by Molmil](/molmil-images/mine/4px1) | CRYSTAL STRUCTURE OF Maleylacetoacetate isomerase from Methylobacteriu extorquens AM1 WITH BOUND MALONATE (TARGET EFI-507068) | Descriptor: | CHLORIDE ION, MALONIC ACID, Maleylacetoacetate isomerase (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: | 2014-03-21 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of glutathione s-transferase zeta from methylobacterium extorquens (TARGET EFI-507068) To be Published
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4NX1
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![BU of 4nx1 by Molmil](/molmil-images/mine/4nx1) | Crystal structure of a trap periplasmic solute binding protein from Sulfitobacter sp. nas-14.1, target EFI-510292, with bound alpha-D-taluronate | Descriptor: | C4-dicarboxylate transport system substrate-binding protein, alpha-D-talopyranuronic 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: | 2013-12-08 | Release date: | 2014-01-22 | Last modified: | 2020-07-29 | 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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6HMK
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![BU of 6hmk by Molmil](/molmil-images/mine/6hmk) | POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00016690 | Descriptor: | 1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tucker, J.A, Barkauskaite, E. | Deposit date: | 2018-09-12 | Release date: | 2018-11-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides. J.Med.Chem., 61, 2018
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4O11
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![BU of 4o11 by Molmil](/molmil-images/mine/4o11) | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-hydroxyuridine 5'-monophosphate | Descriptor: | 1,2-ETHANEDIOL, 6-HYDROXYURIDINE-5'-PHOSPHATE, CHLORIDE ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2013-12-14 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-hydroxyuridine 5'-monophosphate To be Published
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4O4K
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![BU of 4o4k by Molmil](/molmil-images/mine/4o4k) | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities | Descriptor: | (5~{E})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-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: | 2013-12-18 | Release date: | 2014-01-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities. Mol.Cell, 53, 2014
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6HX4
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![BU of 6hx4 by Molmil](/molmil-images/mine/6hx4) | Fab fragment of a native monomer-selective antibody in complex with alpha-1-antitrypsin | Descriptor: | Alpha-1-antitrypsin, Fab 1D9 heavy chain, Fab 1D9 light chain | Authors: | Elliston, E.L.K, Miranda, E, Perez, J, Jagger, A.M, Lomas, D.A, Irving, J.A. | Deposit date: | 2018-10-15 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Characterisation of a monoclonal antibody conformationally-selective for native alpha-1-antitrypsin To Be Published
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4NZB
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![BU of 4nzb by Molmil](/molmil-images/mine/4nzb) | NS9283 bound to Ls-AChBP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile, ACETATE ION, ... | Authors: | Olsen, J.A, Kastrup, J.S, Gajhede, M. | Deposit date: | 2013-12-11 | Release date: | 2014-07-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural and functional studies of the modulator NS9283 reveal agonist-like mechanism of action at alpha 4 beta 2 nicotinic acetylcholine receptors. J.Biol.Chem., 289, 2014
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3MM0
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![BU of 3mm0 by Molmil](/molmil-images/mine/3mm0) | Crystal structure of chimeric avidin | Descriptor: | Avidin, Avidin-related protein 4/5 | Authors: | Livnah, O, Eisenberg-Domovich, Y, Maatta, J.A.E, Kulomaa, M.S, Hytonen, V.P, Nordlund, H.R. | Deposit date: | 2010-04-19 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Chimeric avidin shows stability against harsh chemical conditions-biochemical analysis and 3D structure. Biotechnol.Bioeng., 108, 2011
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4NKL
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![BU of 4nkl by Molmil](/molmil-images/mine/4nkl) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V66A/I92Q 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: | 2013-11-12 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pressure effects in proteins To be Published
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6H76
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![BU of 6h76 by Molmil](/molmil-images/mine/6h76) | SiaP in complex with Neu5Ac (RT) | Descriptor: | CESIUM ION, CHLORIDE ION, N-acetyl-beta-neuraminic acid, ... | Authors: | Fischer, M, Darby, J.F, Brannigan, J.A, Turkenburg, J, Hubbard, R.E. | Deposit date: | 2018-07-30 | Release date: | 2019-08-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Water Networks Can Determine the Affinity of Ligand Binding to Proteins. J.Am.Chem.Soc., 141, 2019
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6GIL
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![BU of 6gil by Molmil](/molmil-images/mine/6gil) | NMR structure of temporin B in SDS micelles | Descriptor: | Temporin-B | 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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6GS5
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![BU of 6gs5 by Molmil](/molmil-images/mine/6gs5) | NMR structure of temporin L in SDS micelles | Descriptor: | Temporin-L | 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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