3H5Q
 
 | | Crystal structure of a putative pyrimidine-nucleoside phosphorylase from Staphylococcus aureus | | Descriptor: | Pyrimidine-nucleoside phosphorylase, SULFATE ION, THYMIDINE | | Authors: | Shumilin, I.A, Zimmerman, M, Cymborowski, M, Skarina, T, Onopriyenko, O, Anderson, W.F, Savchenko, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-04-22 | | Release date: | 2009-05-26 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structure of a putative pyrimidine-nucleoside phosphorylase from Staphylococcus aureus
TO BE PUBLISHED
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2P1M
 | | TIR1-ASK1 complex structure | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, TRANSPORT INHIBITOR RESPONSE 1 protein | | Authors: | Tan, X, Calderon-Villalobos, L.I.A, Sharon, M, Robinson, C.V, Estelle, M, Zheng, N. | | Deposit date: | 2007-03-05 | | Release date: | 2007-04-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanism of auxin perception by the TIR1 ubiquitin ligase
Nature, 446, 2007
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1GXO
 | | Mutant D189A of Family 10 polysaccharide lyase from Cellvibrio cellulosa in complex with trigalaturonic acid | | Descriptor: | CALCIUM ION, PECTATE LYASE, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid | | Authors: | Charnock, S.J, Brown, I.E, Turkenburg, J.P, Black, G.W, Davies, G.J. | | Deposit date: | 2002-04-08 | | Release date: | 2002-10-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Convergent Evolution Sheds Light on the Anti-Beta-Elimination Mechanism Common to Family 1 and 10 Polysaccharide Lyases
Proc.Natl.Acad.Sci.USA, 99, 2002
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5C1V
 | | CRYSTAL STRUCTURE ANALYSIS OF CATALYTIC SUBUNIT OF HUMAN CALCINEURIN | | Descriptor: | FE (III) ION, PHOSPHATE ION, Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform, ... | | Authors: | Guasch, A, Fita, I, Perez-Luque, R, Aparicio, D, Aranguren-Ibanez, A, Perez-Riba, M. | | Deposit date: | 2015-06-15 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Calcineurin Undergoes a Conformational Switch Evoked via Peptidyl-Prolyl Isomerization.
Plos One, 10, 2015
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3GOY
 | | Crystal structure of human poly(adp-ribose) polymerase 14, catalytic fragment in complex with an inhibitor 3-aminobenzamide | | Descriptor: | 3-aminobenzamide, Poly [ADP-ribose] polymerase 14 | | Authors: | Karlberg, T, Moche, M, Lehtio, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-03-20 | | Release date: | 2009-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors.
Nat.Biotechnol., 30, 2012
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2OXF
 | | X-ray structure of the unliganded uridine phosphorylase from Salmonella typhimurium in homodimeric form at 1.76A resolution | | Descriptor: | GLYCEROL, Uridine phosphorylase | | Authors: | Timofeev, V.I, Pavlyk, B.P, Lashkov, A.A, Gabdoulkhakov, A.G, Mikhailov, A.M. | | Deposit date: | 2007-02-20 | | Release date: | 2008-02-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | X-ray structure of the unliganded uridine phosphorylase from Salmonella typhimurium in homodimeric form at 1.76A resolution
To be Published
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1OHB
 | | Acetylglutamate kinase from Escherichia coli complexed with ADP and sulphate | | Descriptor: | ACETATE ION, ACETYLGLUTAMATE KINASE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Gil-Ortiz, F, Ramon-Maiques, S, Fita, I, Rubio, V. | | Deposit date: | 2003-05-23 | | Release date: | 2003-07-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Course of Phosphorus in the Reaction of N-Acetyl-L-Glutamate Kinase, Determined from the Structures of Crystalline Complexes, Including a Complex with an Alf(4)(-) Transition State Mimic
J.Mol.Biol., 331, 2003
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1GP5
 | | Anthocyanidin synthase from Arabidopsis thaliana complexed with trans-dihydroquercetin | | Descriptor: | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, (2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Wilmouth, R.C, Turnbull, J.J, Welford, R.W.D, Clifton, I.J, Prescott, A.G, Schofield, C.J. | | Deposit date: | 2001-10-30 | | Release date: | 2002-02-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Mechanism of Anthocyanidin Synthase from Arabidopsis Thaliana.
Structure, 10, 2002
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5C83
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 21 | | Descriptor: | (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-25 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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3GM0
 | | Anti-methamphetamine single chain Fv in complex with MDMA | | Descriptor: | (2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine, anti-methamphetamine single chain Fv | | Authors: | Celikel, R, Peterson, E.C, Owens, M, Varughese, K.I. | | Deposit date: | 2009-03-12 | | Release date: | 2009-10-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of a therapeutic single chain antibody in complex with two drugs of abuse-Methamphetamine and 3,4-methylenedioxymethamphetamine.
Protein Sci., 18, 2009
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1OH9
 | | Acetylglutamate kinase from Escherichia coli complexed with MgADP, N-acetyl-L-glutamate and the transition-state mimic AlF4- | | Descriptor: | ACETYLGLUTAMATE KINASE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Gil-Ortiz, F, Ramon-Maiques, S, Fita, I, Rubio, V. | | Deposit date: | 2003-05-23 | | Release date: | 2003-07-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | The Course of Phosphorus in the Reaction of N-Acetyl-L-Glutamate Kinase, Determined from the Structures of Crystalline Complexes, Including a Complex with an Alf(4)(-) Transition State Mimic
J.Mol.Biol., 331, 2003
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3GWS
 | | Crystal Structure of T3-Bound Thyroid Hormone Receptor | | Descriptor: | 3,5,3'TRIIODOTHYRONINE, Thyroid hormone receptor beta | | Authors: | Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R, Polikarpov, I, Baxter, J.D, Webb, P. | | Deposit date: | 2009-04-01 | | Release date: | 2009-04-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function
J.Mol.Biol., 360, 2006
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3GRL
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2PF8
 | | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is equal to concentration of IDD594. | | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | | Authors: | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | | Deposit date: | 2007-04-04 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
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3GWD
 | | Closed crystal structure of cyclohexanone monooxygenase | | Descriptor: | Cyclohexanone monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Mirza, I.A, Yachnin, B.J, Berghuis, A.M. | | Deposit date: | 2009-03-31 | | Release date: | 2009-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of cyclohexanone monooxygenase reveal complex domain movements and a sliding cofactor
J.Am.Chem.Soc., 131, 2009
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5CK4
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1OY9
 | | Structural Basis of Multiple Drug Binding Capacity of the AcrB Multidrug Efflux Pump | | Descriptor: | Acriflavine resistance protein B, ETHIDIUM | | Authors: | Yu, E.W, McDermott, G, Zgurskaya, H.I, Nikaido, H, Koshland Jr, D.E. | | Deposit date: | 2003-04-03 | | Release date: | 2003-05-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural basis of multiple drug-binding capacity of the AcrB multidrug efflux pump.
Science, 300, 2003
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3T6L
 | | Y54F mutant of core streptavidin | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Streptavidin | | Authors: | Baugh, L, Le Trong, I, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P. | | Deposit date: | 2011-07-28 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Second-Contact Shell Mutation Diminishes Streptavidin-Biotin Binding Affinity through Transmitted Effects on Equilibrium Dynamics.
Biochemistry, 51, 2012
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1HG7
 | | High resolution structure of HPLC-12 type III antifreeze protein from Ocean Pout Macrozoarces americanus | | Descriptor: | HPLC-12 TYPE III ANTIFREEZE PROTEIN, SULFATE ION | | Authors: | Antson, A.A, Smith, D.J, Roper, D.I, Lewis, S, Caves, L.S.D, Verma, C.S, Buckley, S.L, Lillford, P.J, Hubbard, R.E. | | Deposit date: | 2000-12-13 | | Release date: | 2001-01-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Understanding the Mechanism of Ice Binding by Type III Antifreeze Protein
J.Mol.Biol., 305, 2001
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2PMK
 | | Crystal structures of an isolated ABC-ATPase in complex with TNP-ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Alpha-hemolysin translocation ATP-binding protein hlyB, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE | | Authors: | Oswald, C, Jenewein, S, Holland, I.B, Schmitt, L. | | Deposit date: | 2007-04-23 | | Release date: | 2008-02-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Water-mediated protein-fluorophore interactions modulate the affinity of an ABC-ATPase/TNP-ADP complex
J.Struct.Biol., 162, 2008
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3T9L
 | | Structure of N-terminal DUSP-UBL domains of human USP15 | | Descriptor: | SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 15 | | Authors: | Harper, S, Besong, T.M.D, Emsley, J, Scott, D.J, Dreveny, I. | | Deposit date: | 2011-08-03 | | Release date: | 2011-09-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of the USP15 N-Terminal Domains: A beta-Hairpin Mediates Close Association between the DUSP and UBL Domains
Biochemistry, 50, 2011
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3GXY
 | | Crystal structure of cyanovirin-n complexed to a synthetic hexamannoside | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Cyanovirin-N, MAGNESIUM ION, ... | | Authors: | Botos, I, O'Keefe, B.R, Shenoy, S.R, Seeberger, P.H, Boyd, M.R, Wlodawer, A. | | Deposit date: | 2009-04-03 | | Release date: | 2009-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of the complexes of a potent anti-HIV protein cyanovirin-n and high mannose oligosaccharides
J.Biol.Chem., 277, 2002
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1OJG
 | | Sensory domain of the membraneous two-component fumarate sensor DcuS of E. coli | | Descriptor: | SENSOR PROTEIN DCUS | | Authors: | Pappalardo, L, Janausch, I.G, Vijayan, V, Zientz, E, Junker, J, Peti, W, Zweckstetter, M, Unden, G, Griesinger, C. | | Deposit date: | 2003-07-10 | | Release date: | 2003-08-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The NMR structure of the sensory domain of the membranous two-component fumarate sensor (histidine protein kinase) DcuS of Escherichia coli.
J. Biol. Chem., 278, 2003
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1OLN
 | | Model for thiostrepton antibiotic binding to L11 substrate from 50S ribosomal RNA | | Descriptor: | 50S RIBOSOMAL PROTEIN L11, RNA, THIOSTREPTON | | Authors: | Lentzen, G, Klinck, R, Matassova, N, Aboul-Ela, F, Murchie, A.I.H. | | Deposit date: | 2003-08-08 | | Release date: | 2003-09-11 | | Last modified: | 2019-08-21 | | Method: | SOLUTION NMR, THEORETICAL MODEL | | Cite: | Structural Basis for Contrasting Activities of Ribosome Binding Thiazole Antibiotics
Chem.Biol., 10, 2003
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5C7D
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 17 | | Descriptor: | (2R)-4-[2-(6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-24 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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