2WEY
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![BU of 2wey by Molmil](/molmil-images/mine/2wey) | Human PDE-papaverine complex obtained by ligand soaking of cross- linked protein crystals | Descriptor: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE, ... | Authors: | Andersen, O.A, Schonfeld, D.L, Toogood-Johnson, I, Felicetti, B, Albrecht, C, Fryatt, T, Whittaker, M, Hallett, D, Barker, J. | Deposit date: | 2009-04-02 | Release date: | 2009-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Cross-Linking of Protein Crystals as an Aid in the Generation of Binary Protein-Ligand Crystal Complexes, Exemplified by the Human Pde10A-Papaverine Structure. Acta Crystallogr.,Sect.D, 65, 2009
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5UIX
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1OZ9
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![BU of 1oz9 by Molmil](/molmil-images/mine/1oz9) | Crystal structure of AQ_1354, a hypothetical protein from Aquifex aeolicus | Descriptor: | Hypothetical protein AQ_1354 | Authors: | Oganesyan, V, Busso, D, Brandsen, J, Chen, S, Jancarik, J, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2003-04-08 | Release date: | 2003-09-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.894 Å) | Cite: | Structure of the hypothetical protein AQ_1354 from Aquifex aeolicus. Acta Crystallogr.,Sect.D, 59, 2003
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5KNS
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![BU of 5kns by Molmil](/molmil-images/mine/5kns) | E coli hypoxanthine guanine phosphoribosyltransferase in complexed with 9-[(N-phosphonoethyl-N-phosphonoethoxyethyl)-2-aminoethyl]hypoxanthine | Descriptor: | (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypoxanthine-guanine phosphoribosyltransferase, ... | Authors: | Eng, W.S, Keough, D.T, Hockova, D, Janeba, Z. | Deposit date: | 2016-06-28 | Release date: | 2017-07-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.792 Å) | Cite: | Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia coli Hypoxanthine Phosphoribosyltransferase Chemistryselect, 1, 2016
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5KOP
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![BU of 5kop by Molmil](/molmil-images/mine/5kop) | Arabidopsis thaliana fucosyltransferase 1 (FUT1) in its apo-form | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Galactoside 2-alpha-L-fucosyltransferase | Authors: | Rocha, J, de Sanctis, D, Breton, C. | Deposit date: | 2016-07-01 | Release date: | 2016-10-12 | Last modified: | 2018-10-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Arabidopsis thaliana FUT1 Reveals a Variant of the GT-B Class Fold and Provides Insight into Xyloglucan Fucosylation. Plant Cell, 28, 2016
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2W3N
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![BU of 2w3n by Molmil](/molmil-images/mine/2w3n) | Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans | Descriptor: | ACETATE ION, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Schlicker, C, Hall, R.A, Vullo, D, Middelhaufe, S, Gertz, M, Supuran, C.T, Muehlschlegel, F.A, Steegborn, C. | Deposit date: | 2008-11-13 | Release date: | 2008-12-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans. J. Mol. Biol., 385, 2009
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2W5S
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![BU of 2w5s by Molmil](/molmil-images/mine/2w5s) | Structure-based mechanism of lipoteichoic acid synthesis by Staphylococcus aureus LtaS. | Descriptor: | (2R)-2,3-dihydroxypropyl phosphate, ACETATE ION, MANGANESE (II) ION, ... | Authors: | Lu, D, Wormann, M.E, Zhang, X, Schneewind, O, Grundling, A, Freemont, P.S. | Deposit date: | 2008-12-11 | Release date: | 2009-02-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Mechanism of Lipoteichoic Acid Synthesis by Staphylococcus Aureus Ltas. Proc.Natl.Acad.Sci.USA, 106, 2009
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5L3E
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![BU of 5l3e by Molmil](/molmil-images/mine/5l3e) | LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine, ... | Authors: | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | Deposit date: | 2016-04-10 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features. Sci Adv, 2, 2016
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5KY6
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1P46
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![BU of 1p46 by Molmil](/molmil-images/mine/1p46) | T4 lysozyme core repacking mutant M106I/TA | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... | Authors: | Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. | Deposit date: | 2003-04-21 | Release date: | 2003-10-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Repacking the Core of T4 lysozyme by automated design J.Mol.Biol., 332, 2003
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1PQH
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![BU of 1pqh by Molmil](/molmil-images/mine/1pqh) | Serine 25 to Threonine mutation of aspartate decarboxylase | Descriptor: | Aspartate 1-decarboxylase, MALONIC ACID, SODIUM ION | Authors: | Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2003-06-18 | Release date: | 2003-11-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase Embo J., 22, 2003
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2WD7
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![BU of 2wd7 by Molmil](/molmil-images/mine/2wd7) | PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00066750 | Descriptor: | 6-chloro-1H-benzimidazol-2-amine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE | Authors: | Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. | Deposit date: | 2009-03-20 | Release date: | 2009-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening. J.Med.Chem., 52, 2009
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1PPJ
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![BU of 1ppj by Molmil](/molmil-images/mine/1ppj) | Bovine cytochrome bc1 complex with stigmatellin and antimycin | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-7-YL ESTER, AZIDE ION, ... | Authors: | Huang, L.S, Cobessi, D, Tung, E.Y, Berry, E.A. | Deposit date: | 2003-06-16 | Release date: | 2004-07-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of the Respiratory Chain Inhibitor Antimycin to the Mitochondrial bc(1) Complex: A New Crystal Structure Reveals an Altered Intramolecular Hydrogen-bonding Pattern. J.Mol.Biol., 351, 2005
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2W1K
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![BU of 2w1k by Molmil](/molmil-images/mine/2w1k) | Crystal Structure of Sortase C-3 (SRTC-3) from Streptococcus pneumoniae | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PUTATIVE SORTASE | Authors: | Manzano, C, Contreras-Martel, C, El Mortaji, L, Izore, T, Fenel, D, Vernet, T, Schoehn, G, Di Guilmi, A.M, Dessen, A. | Deposit date: | 2008-10-17 | Release date: | 2008-12-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Sortase-Mediated Pilus Fiber Biogenesis in Streptococcus Pneumoniae. Structure, 16, 2008
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5S4J
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![BU of 5s4j by Molmil](/molmil-images/mine/5s4j) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF054 | Descriptor: | 6-chlorotetrazolo[1,5-b]pyridazine, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.124 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5MV0
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![BU of 5mv0 by Molmil](/molmil-images/mine/5mv0) | Structure of an N-terminal domain of a reptarenavirus L protein | Descriptor: | L protein, PHOSPHATE ION | Authors: | Rosenthal, M, Gogrefe, N, Reguera, J, Vogel, D, Rauschenberger, B, Cusack, S, Gunther, S, Reindl, S. | Deposit date: | 2017-01-14 | Release date: | 2017-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural insights into reptarenavirus cap-snatching machinery. PLoS Pathog., 13, 2017
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5MU5
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![BU of 5mu5 by Molmil](/molmil-images/mine/5mu5) | Structure of MAf glycosyltransferase from Magnetospirillum magneticum AMB-1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | Authors: | Sulzenbacher, G, Roig-Zamboni, V, Murat, D, Vincentelli, R, Wu, L.F, Guerardel, Y, Alberto, F. | Deposit date: | 2017-01-12 | Release date: | 2017-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Glycosylate and move! The glycosyltransferase Maf is involved in bacterial flagella formation. Environ. Microbiol., 20, 2018
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2WRS
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![BU of 2wrs by Molmil](/molmil-images/mine/2wrs) | Crystal Structure of the Mono-Zinc Metallo-beta-lactamase VIM-4 from Pseudomonas aeruginosa | Descriptor: | BETA-LACTAMASE VIM-4, CITRATE ANION, CITRIC ACID, ... | Authors: | Lassaux, P, Hamel, M, Gulea, M, Delbruck, H, Traore, D.A.K, Mercuri, P.S, Horsfall, L, Dehareng, D, Gaumont, A.-C, Frere, J.-M, Ferrer, J.-L, Hoffmann, K, Galleni, M, Bebrone, C. | Deposit date: | 2009-09-02 | Release date: | 2010-06-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Mercaptophosphonate Compounds as Broad-Spectrum Inhibitors of the Metallo-Beta-Lactamases. J.Med.Chem., 53, 2010
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1PX7
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![BU of 1px7 by Molmil](/molmil-images/mine/1px7) | A folding mutant of human class pi glutathione transferase, created by mutating aspartate 153 of the wild-type protein to glutamate | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLUTATHIONE, ... | Authors: | Kong, G.K.-W, Polekhina, G, McKinstry, W.J, Parker, M.W, Dragani, B, Aceto, A, Paludi, D, Principe, D.R, Mannervik, B, Stenberg, G. | Deposit date: | 2003-07-02 | Release date: | 2003-07-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The multi-functional role of a highly conserved aspartic acid residue in glutathione transferase P1-1 To be Published
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5S72
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![BU of 5s72 by Molmil](/molmil-images/mine/5s72) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with BBL029427 | Descriptor: | CITRIC ACID, N-(2-aminoethyl)-N'-phenylurea, Uridylate-specific endoribonuclease | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | Deposit date: | 2020-11-13 | Release date: | 2020-11-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.512 Å) | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
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2X3T
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![BU of 2x3t by Molmil](/molmil-images/mine/2x3t) | Glutaraldehyde-crosslinked wheat germ agglutinin isolectin 1 crystal soaked with a synthetic glycopeptide | Descriptor: | 2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose, AGGLUTININ ISOLECTIN 1, D-ALPHA-AMINOBUTYRIC ACID, ... | Authors: | Schwefel, D, Maierhofer, C, Wittmann, V, Diederichs, K, Welte, W. | Deposit date: | 2010-01-26 | Release date: | 2010-06-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.749 Å) | Cite: | Structural Basis of Multivalent Binding to Wheat Germ Agglutinin. J.Am.Chem.Soc., 132, 2010
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2X94
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![BU of 2x94 by Molmil](/molmil-images/mine/2x94) | Crystal structure of AnCE-perindoprilat complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ... | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | Deposit date: | 2010-03-14 | Release date: | 2010-06-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
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5MMV
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![BU of 5mmv by Molmil](/molmil-images/mine/5mmv) | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) | Descriptor: | (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | Deposit date: | 2016-12-12 | Release date: | 2017-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) To Be Published
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2WM9
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![BU of 2wm9 by Molmil](/molmil-images/mine/2wm9) | Structure of the complex between DOCK9 and Cdc42. | Descriptor: | CELL DIVISION CONTROL PROTEIN 42 HOMOLOG, DEDICATOR OF CYTOKINESIS PROTEIN 9, GLYCEROL | Authors: | Yang, J, Roe, S.M, Barford, D. | Deposit date: | 2009-06-30 | Release date: | 2009-09-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Activation of Rho Gtpases by Dock Exchange Factors is Mediated by a Nucleotide Sensor. Science, 325, 2009
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1PMS
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![BU of 1pms by Molmil](/molmil-images/mine/1pms) | PLECKSTRIN HOMOLOGY DOMAIN OF SON OF SEVENLESS 1 (SOS1) WITH GLYCINE-SERINE ADDED TO THE N-TERMINUS, NMR, 20 STRUCTURES | Descriptor: | SOS 1 | Authors: | Koshiba, S, Kigawa, T, Kim, J, Shirouzu, M, Bowtell, D, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 1997-02-18 | Release date: | 1997-05-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of the pleckstrin homology domain of mouse Son-of-sevenless 1 (mSos1). J.Mol.Biol., 269, 1997
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