5AJW
 
 | | Human PFKFB3 in complex with an indole inhibitor 2 | | Descriptor: | 2-amino-N-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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3MMF
 | | Crystal structure of human carbonic anhydrase II in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor | | Descriptor: | 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | | Deposit date: | 2010-04-19 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies.
Bioorg.Med.Chem., 19, 2011
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4UCQ
 | | Structure of the T18D small subunit mutant of D. fructosovorans NiFe- hydrogenase | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Abou-Hamdan, A, Ceccaldi, P, Lebrette, H, Guttierez-Sanz, O, Richaud, P, Cournac, L, Guigliarelli, B, deLacey, A.L, Leger, C, Volbeda, A, Burlat, B, Dementin, S. | | Deposit date: | 2014-12-04 | | Release date: | 2015-02-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A threonine stabilizes the NiC and NiR catalytic intermediates of [NiFe]-hydrogenase.
J. Biol. Chem., 290, 2015
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3M59
 | | SET7/9 Y245A in complex with TAF10-K189me2 peptide and AdoHcy | | Descriptor: | COBALT (II) ION, GLYCEROL, Histone-lysine N-methyltransferase SETD7, ... | | Authors: | Del Rizzo, P.A, Couture, J.-F, Roiko, M.S, Strunk, B.S, Brunzelle, J.S, Dirk, L.M, Houtz, R.L, Trievel, R.C. | | Deposit date: | 2010-03-12 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | SET7/9 catalytic mutants reveal the role of active site water molecules in lysine multiple methylation.
J.Biol.Chem., 285, 2010
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4UD5
 | | Structural Plasticity of Cid1 Provides a Basis for its RNA Terminal Uridylyl Transferase Activity | | Descriptor: | POLY(A) RNA POLYMERASE PROTEIN CID1 | | Authors: | Yates, L.A, Durrant, B.P, Fleurdepine, S, Harlos, K, Norbury, C.J, Gilbert, R.J.C. | | Deposit date: | 2014-12-07 | | Release date: | 2015-03-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structural Plasticity of Cid1 Provides a Basis for its Distributive RNA Terminal Uridylyl Transferase Activity.
Nucleic Acids Res., 43, 2015
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4UVJ
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8H0H
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5AAM
 | | Structure of a redesigned cross-reactive antibody to dengue virus with increased in vivo potency | | Descriptor: | ENVELOPE PROTEIN, SCFV513 | | Authors: | Wong, Y.H, Robinson, L.N, Lescar, J, Sasisekharan, R. | | Deposit date: | 2015-07-27 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structure-Guided Design of an Anti-Dengue Antibody Directed to a Non-Immunodominant Epitope.
Cell(Cambridge,Mass.), 162, 2015
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5AEZ
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4V2I
 | | Biochemical characterization and structural analysis of a new cold- active and salt tolerant esterase from the marine bacterium Thalassospira sp | | Descriptor: | ESTERASE/LIPASE, MAGNESIUM ION | | Authors: | Santi, C.D, Leiros, H.-K.S, Scala, A.D, Pascale, D.D, Altermark, B, Willassen, N.-P. | | Deposit date: | 2014-10-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.686 Å) | | Cite: | Biochemical Characterization and Structural Analysis of a New Cold-Active and Salt-Tolerant Esterase from the Marine Bacterium Thalassospira Sp.
Extremophiles, 20, 2016
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5AJ3
 | | Structure of the small subunit of the mammalian mitoribosome | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MITORIBOSOMAL 12S RRNA, ... | | Authors: | Greber, B.J, Bieri, P, Leibundgut, M, Leitner, A, Aebersold, R, Boehringer, D, Ban, N. | | Deposit date: | 2015-02-20 | | Release date: | 2015-04-22 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Ribosome. The complete structure of the 55S mammalian mitochondrial ribosome.
Science, 348, 2015
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1R7Y
 | | Glycosyltransferase A in complex with 3-amino-acceptor analog inhibitor and uridine diphosphate | | Descriptor: | Glycoprotein-fucosylgalactoside alpha-N-acetylgalactosaminyltransferase, MANGANESE (II) ION, MERCURY (II) ION, ... | | Authors: | Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V. | | Deposit date: | 2003-10-22 | | Release date: | 2004-02-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases
J.Biol.Chem., 278, 2003
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4WJ5
 | | Structure of HLA-A2 in complex with an altered peptide ligands based on Mart-1 variant epitope | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Celie, P.H.N, Rodenko, B, Ovaa, H. | | Deposit date: | 2014-09-29 | | Release date: | 2014-10-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Altered Peptide Ligands Revisited: Vaccine Design through Chemically Modified HLA-A2-Restricted T Cell Epitopes.
J Immunol., 193, 2014
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4WB7
 | | Crystal structure of a chimeric fusion of human DnaJ (Hsp40) and cAMP-dependent protein kinase A (catalytic alpha subunit) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, PKI (5-24), ... | | Authors: | Cheung, J, Ginter, C, Cassidy, M, Franklin, M.C, Rudolph, M.J, Hendrickson, W.A. | | Deposit date: | 2014-09-02 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into mis-regulation of protein kinase A in human tumors.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4WMJ
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4W1T
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4V2K
 | | Crystal structure of the thiosulfate dehydrogenase TsdA in complex with thiosulfate | | Descriptor: | HEME C, THIOSULFATE, THIOSULFATE DEHYDROGENASE | | Authors: | Grabarczyk, D.B, Chappell, P.E, Eisel, B, Johnson, S, Lea, S.M, Berks, B.C. | | Deposit date: | 2014-10-10 | | Release date: | 2015-02-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Mechanism of Thiosulfate Oxidation in the Soxa Family of Cysteine-Ligated Cytochromes
J.Biol.Chem., 290, 2015
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4URE
 | | Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase from Aromatoleum aromaticum EbN1 | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, CYCLOHEXANOL DEHYDROGENASE, ... | | Authors: | Buesing, I, Hoeffken, H.W, Breuer, M, Woehlbrand, L, Hauer, B, Rabus, R. | | Deposit date: | 2014-06-28 | | Release date: | 2015-07-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase from 'Aromatoleum Aromaticum' Ebn1.
J.Mol.Microbiol.Biotechnol., 25, 2015
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9F40
 | | Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with ergosterol bound | | Descriptor: | ACETONITRILE, DI(HYDROXYETHYL)ETHER, ERGOSTEROL, ... | | Authors: | Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
To Be Published
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9F41
 | | Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with cholesterol bound | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHOLESTEROL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
To Be Published
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2LE6
 | | Structure of a dimeric all-parallel-stranded G-quadruplex stacked via the 5'-to-5' interface | | Descriptor: | DNA (5'-D(*GP*IP*GP*TP*GP*GP*GP*TP*GP*GP*GP*TP*GP*GP*GP*T)-3') | | Authors: | Do, N.Q, Lim, K.W, Teo, M.H, Heddi, B, Phan, A.T. | | Deposit date: | 2011-06-10 | | Release date: | 2011-08-31 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Stacking of G-quadruplexes: NMR structure of a G-rich oligonucleotide with potential anti-HIV and anticancer activity
Nucleic Acids Res., 2011
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8SXW
 | | X-ray crystal structure of UDP- 2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, D98N mutation, apo structure at pH 6 | | Descriptor: | CHLORIDE ION, SODIUM ION, UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase | | Authors: | Kroft, C.W, Thoden, J.B, Holden, H.M. | | Deposit date: | 2023-05-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural analysis of a bacterial UDP-sugar 2-epimerase reveals the active site architecture before and after catalysis.
J.Biol.Chem., 299, 2023
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8SY0
 | | X-ray crystal structure of UDP- 2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27 in complex with its product UDP-2,3-diacetamido-2,3-dideoxy-d-mannuronic acid at pH 9 | | Descriptor: | (2~{S},3~{S},4~{R},5~{S},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | McKnight, J.O, Thoden, J.B, Holden, H.M. | | Deposit date: | 2023-05-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural analysis of a bacterial UDP-sugar 2-epimerase reveals the active site architecture before and after catalysis.
J.Biol.Chem., 299, 2023
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8SYA
 | | X-ray crystal structure of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, D98N variant in the presence of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid and UDP at pH 9 | | Descriptor: | (2~{S},3~{S},4~{R},5~{R},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid, UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase, URIDINE-5'-DIPHOSPHATE | | Authors: | Thoden, J.B, Holden, H.M. | | Deposit date: | 2023-05-25 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of a bacterial UDP-sugar 2-epimerase reveals the active site architecture before and after catalysis.
J.Biol.Chem., 299, 2023
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8SXY
 | | X-ray crystal structure of UDP- 2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27 in complex with its product UDP-2,3-diacetamido-2,3-dideoxy-d-mannuronic acid at pH 5 | | Descriptor: | (2~{S},3~{S},4~{R},5~{S},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid, CHLORIDE ION, UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase | | Authors: | McKnight, J.O, Thoden, J.B, Holden, H.M. | | Deposit date: | 2023-05-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural analysis of a bacterial UDP-sugar 2-epimerase reveals the active site architecture before and after catalysis.
J.Biol.Chem., 299, 2023
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