4C4E
 
 | | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, N-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine, ... | | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | | Deposit date: | 2013-09-05 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
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4CB8
 | | Structural and mutational analysis reveals that CTNNBL1 binds NLSs in a manner distinct from that of its closest armadillo-relative, karyopherin alpha | | Descriptor: | BETA-CATENIN-LIKE PROTEIN 1, SULFATE ION | | Authors: | Ganesh, K, vanMaldegem, F, Telerman, S.B, Simpson, P, Johnson, C.M, Williams, R.L, Neuberger, M.S, Rada, C. | | Deposit date: | 2013-10-10 | | Release date: | 2013-12-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and Mutational Analysis Reveals that Ctnnbl1 Binds Nlss in a Manner Distinct from that of its Closest Armadillo-Relative, Karyopherin Alpha
FEBS Lett., 588, 2014
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4C1O
 | | Geobacillus thermoglucosidasius GH family 52 xylosidase | | Descriptor: | 1,2-ETHANEDIOL, BETA-XYLOSIDASE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Espina, G, Eley, K, Schneider, T.R, Crennell, S.J, Danson, M.J. | | Deposit date: | 2013-08-13 | | Release date: | 2014-05-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Novel Beta-Xylosidase Structure from Geobacillus Thermoglucosidasius: The First Crystal Structure of a Glycoside Hydrolase Family Gh52 Enzyme Reveals Unpredicted Similarity to Other Glycoside Hydrolase Folds
Acta Crystallogr.,Sect.D, 70, 2014
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4BQN
 | | Structural insights into WcbI, a novel polysaccharide biosynthesis enzyme. Native protein. | | Descriptor: | CAPSULAR POLYSACCHARIDE BIOSYNTHESIS PROTEIN, CHLORIDE ION, COENZYME A, ... | | Authors: | Vivoli, M, Ayres, E, Isupov, M.N, Harmer, N.J. | | Deposit date: | 2013-05-31 | | Release date: | 2013-11-06 | | Last modified: | 2014-08-13 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Structural Insights Into Wcbi, a Novel Polysaccharide-Biosynthesis Enzyme.
Iucrj, 1, 2014
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4C54
 | | Crystal structure of recombinant human IgG4 Fc | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Davies, A.M, Rispens, T, Ooijevaar-deHeer, P, Gould, H.J, Jefferis, R, Aalberse, R.C, Sutton, B.J. | | Deposit date: | 2013-09-10 | | Release date: | 2013-11-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Determinants of Unique Properties of Human Igg4-Fc
J.Mol.Biol., 426, 2014
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4BOC
 | | Structure of mitochondrial RNA polymerase elongation complex | | Descriptor: | 5'-D(*CP*AP*TP*GP*GP*GP*GP*TP*AP*AP*TP*TP*AP*TP *TP*TP*CP*GP*AP*CP*GP*CP*CP*AP*GP*AP*CP*G)-3', 5'-D(*CP*GP*TP*CP*TP*GP*GP*CP*GP*TP*GP*CP*GP*CP *GP*CP*CP*GP*CP*TP*AP*CP*CP*CP*CP*AP*TP*G)-3', 5'-R(*AP*GP*UP*CP*UP*GP*CP*GP*GP*CP*GP*CP*GP*CP)-3', ... | | Authors: | Schwinghammer, K, Cheung, A, Morozov, Y, Agaronyan, K, Temiakov, D, Cramer, P. | | Deposit date: | 2013-05-18 | | Release date: | 2013-09-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of Human Mitochondrial RNA Polymerase Elongation Complex
Nat.Struct.Mol.Biol., 20, 2013
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4P60
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4P73
 | | PheRS in complex with compound 1a | | Descriptor: | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-03-25 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
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4PBE
 | | Phosphotriesterase Variant Rev6 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-revR6, ... | | Authors: | Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J. | | Deposit date: | 2014-04-12 | | Release date: | 2015-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
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4PCS
 | | Crystal structure of a bacterial fucosidase with iminosugar (2S,3S,4R,5S)-3,4-dihydroxy-2-[2'-phenyl]ethynyl-5-methylpyrrolidine | | Descriptor: | (2S,3R,4S,5S)-2-methyl-5-(phenylethynyl)pyrrolidine-3,4-diol, Alpha-L-fucosidase, IMIDAZOLE, ... | | Authors: | Davies, G.J, Wright, D.W, Behr, J.B. | | Deposit date: | 2014-04-16 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Exploiting the Hydrophobic Terrain in Fucosidases with Aryl-Substituted Pyrrolidine Iminosugars.
Chembiochem, 16, 2015
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4PMO
 | | Crystal structure of the Mycobacterium tuberculosis Tat-secreted protein Rv2525c, monoclinic crystal form I | | Descriptor: | FORMIC ACID, GLYCEROL, SODIUM ION, ... | | Authors: | Bellinzoni, M, Haouz, A, Shepard, W, Alzari, P.M. | | Deposit date: | 2014-05-22 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structural studies suggest a peptidoglycan hydrolase function for the Mycobacterium tuberculosis Tat-secreted protein Rv2525c.
J.Struct.Biol., 188, 2014
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4PN8
 | | A de novo designed pentameric coiled coil CC-Pent. | | Descriptor: | CC-Pent | | Authors: | Wood, C.W, Burton, A.J, Thomson, A.R, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2014-05-23 | | Release date: | 2014-10-22 | | Last modified: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Computational design of water-soluble alpha-helical barrels.
Science, 346, 2014
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4PHM
 | | The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids | | Descriptor: | 3-(5-bromo-1H-indol-3-yl)-2-thioxopropanoic acid, CALCIUM ION, Calpain small subunit 1 | | Authors: | Rizkallah, P.J, Allemann, R.K, Adams, S.E, Miller, D.J, Hallett, M.B. | | Deposit date: | 2014-05-06 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids.
J.Struct.Biol., 187, 2014
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4PFR
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RHODOBACTER SPHAEROIDES (Rsph17029_3541, TARGET EFI-510203), APO OPEN PARTIALLY DISORDERED | | Descriptor: | D-MALATE, TRAP dicarboxylate transporter, DctP 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: | 2014-04-30 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 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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4P75
 | | PheRS in complex with compound 4a | | Descriptor: | 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-03-25 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
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4P81
 | | Structure of ancestral PyrR protein (AncORANGEPyrR) | | Descriptor: | Ancestral PyrR protein (Orange), GLYCEROL, SULFATE ION | | Authors: | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | | Deposit date: | 2014-03-29 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
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4PBF
 | | Phosphotriesterase variant Rev12 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-revR12, ... | | Authors: | Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J. | | Deposit date: | 2014-04-12 | | Release date: | 2015-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
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4P8B
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RALSTONIA EUTROPHA H16 (H16_A1328), TARGET EFI-510189, WITH BOUND (S)-2-hydroxy-2-methyl-3-oxobutanoate ((S)-2-Acetolactate) | | Descriptor: | (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid, CHLORIDE ION, TRAP-type transporter, ... | | 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: | 2014-03-31 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.3 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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4PBZ
 | | Structure of the human RbAp48-MTA1(670-695) complex | | Descriptor: | Histone-binding protein RBBP4, Metastasis-associated protein MTA1 | | Authors: | Murthy, A, Pei, X.Y, Watson, A.A, Silva, A.P.G, Mackay, J.P, Laue, E.D. | | Deposit date: | 2014-04-14 | | Release date: | 2014-06-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex.
J.Biol.Chem., 289, 2014
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4PCN
 | | Phosphotriesterase variant R22 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase variant PTE-R22, ZINC ION | | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | | Deposit date: | 2014-04-16 | | Release date: | 2015-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
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4PA8
 | | Crystal structure of a de novo retro-aldolase catalyzing asymmetric Michael additions, with a covalently bound product analog | | Descriptor: | (3R)-3-(4-methoxyphenyl)-5-oxohexanenitrile, GLYCEROL, SULFATE ION, ... | | Authors: | Beck, T, Garrabou Pi, X, Hilvert, D. | | Deposit date: | 2014-04-07 | | Release date: | 2015-04-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | A Promiscuous De Novo Retro-Aldolase Catalyzes Asymmetric Michael Additions via Schiff Base Intermediates.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4PBQ
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM HAEMOPHILUS INFLUENZAE RdAW (HICG_00826, TARGET EFI-510123) WITH BOUND L-GULONATE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, L-gulonate, ... | | 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: | 2014-04-13 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 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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4PEE
 | | Crystal structure of a bacterial fucosidase with inhibitor 1-phenyl-4-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]triazole | | Descriptor: | (2S,3R,4S,5S)-2-methyl-5-(1-phenyl-1H-1,2,3-triazol-4-yl)pyrrolidine-3,4-diol, Alpha-L-fucosidase, IMIDAZOLE, ... | | Authors: | Wright, D.W, Davies, G.J, Behr, J.B. | | Deposit date: | 2014-04-23 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Exploiting the Hydrophobic Terrain in Fucosidases with Aryl-Substituted Pyrrolidine Iminosugars.
Chembiochem, 16, 2015
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4P69
 | | Acek (D477A) ICDH complex | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Isocitrate dehydrogenase [NADP], ... | | Authors: | Jimin, Z, Nan, W, Shu, W, Zongchao, J. | | Deposit date: | 2014-03-22 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | The phosphatase mechanism of bifunctional kinase/phosphatase AceK.
Chem. Commun. (Camb.), 50, 2014
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4P72
 | | PheRS in complex with compound 2a | | Descriptor: | 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-03-25 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
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