1B2T
 
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4PPS
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with an A-CD ring estrogen derivative | | Descriptor: | (1S,3aR,5R,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W. | | Deposit date: | 2014-02-27 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.929 Å) | | Cite: | Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network.
Elife, 3, 2014
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8COG
 | | Human arginylated beta-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Pinto, C.S, Bakker, S.E, Suchenko, A, Hussain, H, Hatano, T, Sampath, K, Chinthalapudi, K, Mishima, M, Balasubramanian, M. | | Deposit date: | 2023-02-28 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.499 Å) | | Cite: | Structure and physiological investigation of human arginylated beta-actin
To Be Published
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1OQH
 | | Crystal Structure of the R124A mutant of the N-lobe human transferrin | | Descriptor: | CARBONATE ION, FE (III) ION, POTASSIUM ION, ... | | Authors: | Baker, H.M, He, Q.-Y, Brigg, S.K, Mason, A.B, N Baker, E. | | Deposit date: | 2003-03-10 | | Release date: | 2003-03-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and functional consequences of binding site mutations in transferrin: crystal structures of the Asp63Glu and Arg124Ala mutants of the N-lobe of human transferrin
Biochemistry, 42, 2003
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4MB4
 | | Crystal structure of E153Q mutant of cold-adapted chitinase from Moritella complex with Nag4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase 60, GLYCEROL, ... | | Authors: | Malecki, P.H, Vorgias, C.E, Rypniewski, W. | | Deposit date: | 2013-08-19 | | Release date: | 2014-03-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.481 Å) | | Cite: | Crystal structures of substrate-bound chitinase from the psychrophilic bacterium Moritella marina and its structure in solution
Acta Crystallogr.,Sect.D, 70, 2014
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1ATZ
 | | HUMAN VON WILLEBRAND FACTOR A3 DOMAIN | | Descriptor: | VON WILLEBRAND FACTOR | | Authors: | Huizinga, E.G, Gros, P. | | Deposit date: | 1997-08-15 | | Release date: | 1998-02-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the A3 domain of human von Willebrand factor: implications for collagen binding.
Structure, 5, 1997
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1WUE
 | | Crystal structure of protein GI:29375081, unknown member of enolase superfamily from enterococcus faecalis V583 | | Descriptor: | mandelate racemase/muconate lactonizing enzyme family protein | | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2004-12-05 | | Release date: | 2004-12-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family
Proc.Natl.Acad.Sci.USA, 111, 2014
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1R6E
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1E6L
 | | Two-component signal transduction system D13A mutant of CheY | | Descriptor: | Chemotaxis protein CheY | | Authors: | Sola, M, Lopez-Hernandez, E, Cronet, P, Lacroix, E, Serrano, L, Coll, M, Parraga, A. | | Deposit date: | 2000-08-18 | | Release date: | 2001-03-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Towards understanding a molecular switch mechanism: thermodynamic and crystallographic studies of the signal transduction protein CheY.
J.Mol.Biol., 303, 2000
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1R9G
 | | Three-dimensional Structure of YaaE from Bacillus subtilis | | Descriptor: | Hypothetical protein yaaE | | Authors: | Bauer, J.A, Bennett, E.M, Begley, T.P, Ealick, S.E. | | Deposit date: | 2003-10-29 | | Release date: | 2004-01-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Three-dimensional Structure of YaaE from Bacillus subtilis, a Glutaminase Implicated in Pyridoxal-5'-phosphate Biosynthesis.
J.Biol.Chem., 279, 2004
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6AML
 | | Phosphotriesterase variant S8 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ... | | Authors: | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | | Deposit date: | 2017-08-09 | | Release date: | 2018-08-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Phosphotriesterase variant S8
To Be Published
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1BEG
 | | STRUCTURE OF FUNGAL ELICITOR, NMR, 18 STRUCTURES | | Descriptor: | BETA-ELICITIN CRYPTOGEIN | | Authors: | Fefeu, S, Bouaziz, S, Huet, J.-C, Pernollet, J.-C, Guittet, E. | | Deposit date: | 1996-11-26 | | Release date: | 1997-12-03 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of beta cryptogein, a beta elicitin secreted by a phytopathogenic fungus Phytophthora cryptogea.
Protein Sci., 6, 1997
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5E2N
 | | Crystal structure of human carbonic anhydrase isozyme XIII with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, CITRIC ACID, ... | | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | | Deposit date: | 2015-10-01 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
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1REI
 | | THE MOLECULAR STRUCTURE OF A DIMER COMPOSED OF THE VARIABLE PORTIONS OF THE BENCE-JONES PROTEIN REI REFINED AT 2.0 ANGSTROMS RESOLUTION | | Descriptor: | BENCE-JONES PROTEIN REI (LIGHT CHAIN) | | Authors: | Epp, O, Lattman, E.E, Colman, P, Fehlhammer, H, Bode, W, Schiffer, M, Huber, R, Palm, W. | | Deposit date: | 1976-03-17 | | Release date: | 1976-05-19 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The molecular structure of a dimer composed of the variable portions of the Bence-Jones protein REI refined at 2.0-A resolution.
Biochemistry, 14, 1975
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1RDP
 | | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV3 | | Descriptor: | 1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBU TENYL]-AMINO-ETHYL]-AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ... | | Authors: | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | | Deposit date: | 2003-11-05 | | Release date: | 2004-10-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
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1EEZ
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5DUD
 | | Crystal structure of E. coli YbgJK | | Descriptor: | YbgJ, YbgK | | Authors: | Arbing, M.A, Kaufmann, M, Shin, A, Medrano-Soto, A, Cascio, D, Eisenberg, D. | | Deposit date: | 2015-09-18 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of E. coli YbgJK
To Be Published
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4D4K
 | | human PFKFB3 in complex with a pyrrolopyrimidone compound | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, 7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, ... | | Authors: | Stgallay, S.A, Bennett, N, Critchlow, S, Davies, G, Debreczeni, J.E, Evans, N, Holdgate, G, Jones, N.P, Leach, L, Maman, S, McLoughlin, S, Preston, M, Rigoreau, L, Thomas, A, Walker, G, Walsch, J, Ward, R.A, Wheatley, E, Winter, J. | | Deposit date: | 2014-10-29 | | Release date: | 2016-01-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods
To be Published
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7VGN
 | | Crystal structure of CmnC | | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, CmnC, ... | | Authors: | Huang, S.J, Hsiao, Y.H, Lin, E.C, Lee, Y.C, Zheng, Y.Z, Chang, C.Y. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer.
Front Chem, 10, 2022
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1B36
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6AJB
 | | Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADH, alpha-ketoglutarate and ca2+ | | Descriptor: | 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP], ... | | Authors: | Wang, X, Inaoka, D.K, Shiba, T, Balogun, E.O, Ziebart, N, Allman, S, Watanabe, Y, Nozaki, T, Boshart, M, Bringaud, F, Harada, S, Kita, K. | | Deposit date: | 2018-08-27 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+)
To Be Published
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7VGL
 | | Crystal structure of CmnC | | Descriptor: | ACETATE ION, CmnC | | Authors: | Hsiao, Y.H, Huang, S.J, Lin, E.C, Lee, Y.C, Zheng, Y.Z, Chang, C.Y. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer.
Front Chem, 10, 2022
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6AJO
 | | Complex form of Uracil DNA glycosylase X and uracil-DNA. | | Descriptor: | DNA (5'-D(P*(ORP)P*TP*T)-3'), IRON/SULFUR CLUSTER, PHOSPHATE ION, ... | | Authors: | Ahn, W.C, Aroli, S, Varshney, U, Woo, E.J. | | Deposit date: | 2018-08-28 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.269 Å) | | Cite: | Covalent binding of uracil DNA glycosylase UdgX to abasic DNA upon uracil excision.
Nat.Chem.Biol., 15, 2019
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7EDZ
 | | Crystal Structure of human PPCS in complex with P-HoPan and AMPPNP | | Descriptor: | 4-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Sharma, N, Mostert, K.J, Strauss, E, Anand, R. | | Deposit date: | 2021-03-17 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Coenzyme A Level Modulator Hopantenate (HoPan) Inhibits Phosphopantotenoylcysteine Synthetase Activity.
Acs Chem.Biol., 16, 2021
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2ZEV
 | | S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium, IPP and BPH-715 | | Descriptor: | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, ... | | Authors: | Guo, R.T, Chen, C.K.-M, Cao, R, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-12-17 | | Release date: | 2008-12-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation
J.Am.Chem.Soc., 131, 2009
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