4DXJ
| Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-propylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | Deposit date: | 2012-02-27 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase. J.Med.Chem., 55, 2012
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4DZ7
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4E0K
| Crystal Structure of the amyloid-fibril forming peptide KDWSFY derived from human Beta 2 Microglobulin (58-63) | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Amyloidogenic peptide segment KDWSFY, SODIUM ION | Authors: | Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2012-03-04 | Release date: | 2012-12-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates. Proc.Natl.Acad.Sci.USA, 109, 2012
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2QQW
| Crystal structure of a cell-wall invertase (D23A) from Arabidopsis thaliana in complex with sucrose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-fructofuranosidase, ... | Authors: | Lammens, W, Le Roy, K, Van Laere, A, Rabijns, A, Van den Ende, W. | Deposit date: | 2007-07-27 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of Arabidopsis thaliana cell-wall invertase mutants in complex with sucrose. J.Mol.Biol., 377, 2008
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4E0X
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4DBU
| Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid | Descriptor: | 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. | Deposit date: | 2012-01-16 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.528 Å) | Cite: | Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer. Bioorg.Med.Chem.Lett., 22, 2012
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2QXS
| Crystal Structure of Antagonizing Mutant 536S of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Raloxifene | Descriptor: | Estrogen receptor, RALOXIFENE | Authors: | Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W. | Deposit date: | 2007-08-12 | Release date: | 2008-09-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Coupling of receptor conformation and ligand orientation determine graded activity. Nat.Chem.Biol., 6, 2010
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2QU1
| Crystal Structure of a Cyclized GFP Variant | Descriptor: | CALCIUM ION, Green fluorescent protein | Authors: | Bailey, L.J, McCoy, J.G, Bitto, E, Bingman, C.A, Fox, B.G, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2007-08-03 | Release date: | 2007-09-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of a Cyclized GFP Variant. To be Published
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4DJU
| Structure of BACE Bound to 2-imino-3-methyl-5,5-diphenylimidazolidin-4-one | Descriptor: | (2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Strickland, C, Cumming, J. | Deposit date: | 2012-02-02 | Release date: | 2012-03-21 | Last modified: | 2012-04-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
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4DE3
| CTX-M-9 class A beta-lactamase complexed with compound 4 | Descriptor: | 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE | Authors: | Nichols, D.A, Chen, Y. | Deposit date: | 2012-01-19 | Release date: | 2012-03-28 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
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2QUZ
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4DEC
| Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate (UDP) and phosphoglyceric acid (PGA) | Descriptor: | 3-PHOSPHOGLYCERIC ACID, GLUCOSYL-3-PHOSPHOGLYCERATE SYNTHASE (GpgS), GLYCEROL, ... | Authors: | Albesa-Jove, D, Urresti, S, van der Woerd, M, Guerin, M.E. | Deposit date: | 2012-01-20 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Mechanistic insights into the retaining glucosyl-3-phosphoglycerate synthase from mycobacteria. J.Biol.Chem., 287, 2012
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2Q9X
| Crystal structure of highly stable mutant Q40P/S47I/H93G of human fibroblast growth factor-1 | Descriptor: | GLYCEROL, Heparin-binding growth factor 1 | Authors: | Szlachcic, A, Zakrzewska, M, Krowarsch, D, Os, V, Helland, R, Otlewski, J. | Deposit date: | 2007-06-14 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of highly stable mutant Q40P/S47I/H93G of human fibroblast growth factor-1 To be Published
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2QA7
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2QC2
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4DEW
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4DLV
| H-Ras Set 2 CaCl2/DTT, ordered off | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ... | Authors: | Holzapfel, G, Mattos, C. | Deposit date: | 2012-02-06 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.572 Å) | Cite: | Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition. Biochemistry, 51, 2012
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2QBV
| Crystal Structure of Intracellular Chorismate Mutase from Mycobacterium Tuberculosis | Descriptor: | CHORISMATE MUTASE | Authors: | Ladner, J.E, Reddy, P.T, Kim, S.K, Reddy, S.-K, Nelson, B.C. | Deposit date: | 2007-06-18 | Release date: | 2007-06-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A comparative biochemical and structural analysis of the intracellular chorismate mutase (Rv0948c) from Mycobacterium tuberculosis H(37)R(v) and the secreted chorismate mutase (y2828) from Yersinia pestis. Febs J., 275, 2008
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4DJX
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2QHD
| Crystal structure of ecarpholin S (ser49-PLA2) complexed with fatty acid | Descriptor: | LAURIC ACID, Phospholipase A2 | Authors: | Zhou, X, Tan, T.C, Valiyaveettil, S, Go, M.L, Kini, R.M, Sivaraman, J. | Deposit date: | 2007-07-02 | Release date: | 2007-10-16 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Characterization of Myotoxic Ecarpholin S from Echis carinatus Venom Biophys.J., 95, 2008
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2QHR
| Crystal structure of the 13F6-1-2 Fab fragment bound to its Ebola virus glycoprotein peptide epitope. | Descriptor: | 13F6-1-2 Fab fragment V lambda x light chain, 13F6-1-2 Fab fragment heavy chain, Envelope glycoprotein peptide | Authors: | Lee, J.E, Kuehne, A, Abelson, D.M, Fusco, M.L, Hart, M.K, Saphire, E.O. | Deposit date: | 2007-07-02 | Release date: | 2008-01-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Complex of a protective antibody with its Ebola virus GP peptide epitope: unusual features of a V lambda x light chain. J.Mol.Biol., 375, 2008
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4DLC
| Crystal Structure of Trypanosoma brucei dUTPase with dUMP, MgF3- transition state analogue, and Mg2+ | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxyuridine triphosphatase, MAGNESIUM ION, ... | Authors: | Hemsworth, G.R, Gonzalez-Pacanowska, D, Wilson, K.S. | Deposit date: | 2012-02-06 | Release date: | 2013-08-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.759 Å) | Cite: | On the catalytic mechanism of dimeric dUTPases. Biochem.J., 456, 2013
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2QIA
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4DO5
| Pharmacological chaperones for human alpha-N-acetylgalactosaminidase | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Clark, N.E, Garman, S.C. | Deposit date: | 2012-02-09 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Pharmacological chaperones for human alpha-N-acetylgalactosaminidase Proc.Natl.Acad.Sci.USA, 109, 2012
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2QIR
| Crystal structure of aminoglycoside acetyltransferase AAC(6')-Ib in complex whith coenzyme A and kanamycin | Descriptor: | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, Aminoglycoside 6-N-acetyltransferase type Ib11, COENZYME A | Authors: | Maurice, F, Broutin, I, Podglajen, I, Benas, P, Collatz, E, Dardel, F. | Deposit date: | 2007-07-05 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Enzyme structural plasticity and the emergence of broad-spectrum antibiotic resistance. Embo Rep., 9, 2008
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