3MRK
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![BU of 3mrk by Molmil](/molmil-images/mine/3mrk) | Crystal Structure of MHC class I HLA-A2 molecule complexed with AFP137 nonapeptide | Descriptor: | 9-meric peptide from Alpha-fetoprotein, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | Deposit date: | 2010-04-29 | Release date: | 2011-05-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of MHC class I HLA-A2 molecule complexed with AFP137 nonapeptide To be Published
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3LZW
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![BU of 3lzw by Molmil](/molmil-images/mine/3lzw) | Crystal structure of ferredoxin-NADP+ oxidoreductase from bacillus subtilis (form I) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Komori, H, Seo, D, Sakurai, T, Higuchi, Y. | Deposit date: | 2010-03-02 | Release date: | 2010-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure analysis of Bacillus subtilis ferredoxin-NADP(+) oxidoreductase and the structural basis for its substrate selectivity Protein Sci., 19, 2010
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2VRF
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![BU of 2vrf by Molmil](/molmil-images/mine/2vrf) | CRYSTAL STRUCTURE OF THE HUMAN BETA-2-SYNTROPHIN PDZ DOMAIN | Descriptor: | 1,2-ETHANEDIOL, BETA-2-SYNTROPHIN | Authors: | Sun, Z, Roos, A.K, Pike, A.C.W, Pilka, E.S, Cooper, C, Elkins, J.M, Murray, J, Arrowsmith, C.H, Doyle, D, Edwards, A, von Delft, F, Bountra, C, Oppermann, U. | Deposit date: | 2008-03-31 | Release date: | 2008-04-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Human Beta-2-Syntrophin Pdz Domain To be Published
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1NIX
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1NJ8
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![BU of 1nj8 by Molmil](/molmil-images/mine/1nj8) | Crystal Structure of Prolyl-tRNA Synthetase from Methanocaldococcus janaschii | Descriptor: | Proline-tRNA Synthetase | Authors: | Kamtekar, S, Kennedy, W.D, Wang, J, Stathopoulos, C, Soll, D, Steitz, T.A. | Deposit date: | 2002-12-30 | Release date: | 2003-03-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The structural basis of cysteine aminoacylation of tRNAPro by prolyl-tRNA synthetases Proc.Natl.Acad.Sci.USA, 100, 2003
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2VWO
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![BU of 2vwo by Molmil](/molmil-images/mine/2vwo) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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2VWM
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![BU of 2vwm by Molmil](/molmil-images/mine/2vwm) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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3PBI
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4EYT
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![BU of 4eyt by Molmil](/molmil-images/mine/4eyt) | Crystal structure of the C-terminal domain of Tetrahymena telomerase protein p65 | Descriptor: | SULFATE ION, Telomerase associated protein p65 | Authors: | Singh, M, Wang, Z, Koo, B.-K, Patel, A, Cascio, D, Collins, K, Feigon, J. | Deposit date: | 2012-05-01 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Telomerase RNA Recognition and RNP Assembly by the Holoenzyme La Family Protein p65. Mol.Cell, 47, 2012
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2VY2
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![BU of 2vy2 by Molmil](/molmil-images/mine/2vy2) | Structure of LEAFY transcription factor from Arabidopsis thaliana in complex with DNA from AG-I promoter | Descriptor: | 5'-D(*AP*TP*TP*TP*AP*AP*TP*CP*CP*AP *AP*TP*GP*GP*TP*TP*AP*CP*AP*A)-3', PROTEIN LEAFY | Authors: | Hames, C, Ptchelkine, D, Grimm, C, Thevenon, E, Moyroud, E, Gerard, F, Martiel, J.L, Benlloch, R, Parcy, F, Muller, C.W. | Deposit date: | 2008-07-16 | Release date: | 2008-09-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Leafy Floral Switch Function and Similarity with Helix-Turn-Helix Proteins. Embo J., 27, 2008
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2W5T
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![BU of 2w5t by Molmil](/molmil-images/mine/2w5t) | 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 (1.6 Å) | Cite: | Structure-Based Mechanism of Lipoteichoic Acid Synthesis by Staphylococcus Aureus Ltas. Proc.Natl.Acad.Sci.USA, 106, 2009
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2VSP
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![BU of 2vsp by Molmil](/molmil-images/mine/2vsp) | Crystal structure of the fourth PDZ domain of PDZ domain-containing protein 1 | Descriptor: | PDZ DOMAIN-CONTAINING PROTEIN 1 | Authors: | Yue, W.W, Shafqat, N, Pilka, E.S, Johansson, C, Murray, J.W, Elkins, J, Roos, A, Cooper, C, Phillips, C, Salah, E, von Delft, F, Doyle, D, Edwards, A, Wikstrom, M, Arrowsmith, C, Bountra, C, Oppermann, U. | Deposit date: | 2008-04-28 | Release date: | 2009-03-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal Structure of the Fourth Pdz Domain of Pdz Domain-Containing Protein 1 To be Published
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1NB3
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![BU of 1nb3 by Molmil](/molmil-images/mine/1nb3) | Crystal structure of stefin A in complex with cathepsin H: N-terminal residues of inhibitors can adapt to the active sites of endo-and exopeptidases | Descriptor: | CATHEPSIN H MINI CHAIN, Cathepsin H, Stefin A, ... | Authors: | Jenko, S, Dolenc, I, Guncar, G, Dobersek, A, Podobnik, M, Turk, D. | Deposit date: | 2002-12-02 | Release date: | 2003-02-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of stefin A in complex with cathepsin H: N-terminal residues of inhibitors can adapt to the active sites of endo- and exopeptidases J.Mol.Biol., 326, 2003
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3PEJ
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![BU of 3pej by Molmil](/molmil-images/mine/3pej) | Crystal Structure of the N-terminal domain of an HSP90 from Plasmodium Falciparum, PFL1070c in the presence of Macbecin | Descriptor: | Endoplasmin homolog, MACBECIN, SULFATE ION | Authors: | Wernimont, A.K, Tempel, W, Hutchinson, A, Weadge, J, MacKenzie, F, Senisterra, G, Vedadi, M, Cossar, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Pizzaro, J.C, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2010-10-26 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal Structure of the N-terminal domain of an HSP90 from Plasmodium Falciparum, PFL1070c in the presence of Macbecin To be Published
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4NML
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![BU of 4nml by Molmil](/molmil-images/mine/4nml) | 2.60 Angstrom resolution crystal structure of putative ribose 5-phosphate isomerase from Toxoplasma gondii ME49 in complex with DL-Malic acid | Descriptor: | CHLORIDE ION, D-MALATE, Ribulose 5-phosphate isomerase | Authors: | Halavaty, A.S, Dubrovska, I, Flores, K, Shanmugam, D, Shuvalova, L, Roos, D, Ruan, J, Ngo, H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-11-15 | Release date: | 2013-12-04 | Last modified: | 2021-01-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii . Front Cell Infect Microbiol, 8, 2018
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2VVC
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![BU of 2vvc by Molmil](/molmil-images/mine/2vvc) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-05 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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3PDS
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![BU of 3pds by Molmil](/molmil-images/mine/3pds) | Irreversible Agonist-Beta2 Adrenoceptor Complex | Descriptor: | 8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-one, CHOLESTEROL, Fusion protein Beta-2 adrenergic receptor/Lysozyme, ... | Authors: | Rosenbaum, D.M, Zhang, C, Lyons, J.A, Holl, R, Aragao, D, Arlow, D.H, Rasmussen, S.G.F, Choi, H.-J, DeVree, B.T, Sunahara, R.K, Chae, P.S, Gellman, S.H, Dror, R.O, Shaw, D.E, Weis, W.I, Caffrey, M, Gmeiner, P, Kobilka, B.K. | Deposit date: | 2010-10-24 | Release date: | 2011-01-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure and function of an irreversible agonist-beta(2) adrenoceptor complex Nature, 469, 2011
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2VZ2
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![BU of 2vz2 by Molmil](/molmil-images/mine/2vz2) | Human MAO B in complex with mofegiline | Descriptor: | (1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Bonivento, D, Mattevi, A. | Deposit date: | 2008-07-29 | Release date: | 2008-12-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and mechanistic studies of mofegiline inhibition of recombinant human monoamine oxidase B. J. Med. Chem., 51, 2008
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1PLG
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![BU of 1plg by Molmil](/molmil-images/mine/1plg) | EVIDENCE FOR THE EXTENDED HELICAL NATURE OF POLYSACCHARIDE EPITOPES. THE 2.8 ANGSTROMS RESOLUTION STRUCTURE AND THERMODYNAMICS OF LIGAND BINDING OF AN ANTIGEN BINDING FRAGMENT SPECIFIC FOR ALPHA-(2->8)-POLYSIALIC ACID | Descriptor: | IGG2A=KAPPA= | Authors: | Evans, S.V, Sigurskjold, B.W, Jennings, H.J, Brisson, J.-R, Tse, W.C, To, R, Altman, E, Frosch, M, Weisgerber, C, Kratzin, H, Klebert, S, Vaesen, M, Bitter-Suermann, D, Rose, D.R, Young, N.M, Bundle, D.R. | Deposit date: | 1995-04-24 | Release date: | 1996-04-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Evidence for the extended helical nature of polysaccharide epitopes. The 2.8 A resolution structure and thermodynamics of ligand binding of an antigen binding fragment specific for alpha-(2-->8)-polysialic acid. Biochemistry, 34, 1995
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2W3Q
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![BU of 2w3q by Molmil](/molmil-images/mine/2w3q) | Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans | Descriptor: | CARBONIC ANHYDRASE 2, CHLORIDE ION, ZINC ION | Authors: | Schlicker, C, Hall, R.A, Vullo, D, Middelhaufe, S, Gertz, M, Supuran, C.T, Muehlschlegel, F.A, Steegborn, C. | Deposit date: | 2008-11-14 | Release date: | 2008-12-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Structure and Inhibition of the Co(2)-Sensing Carbonic Anhydrase Can2 from the Pathogenic Fungus Cryptococcus Neoformans. J.Mol.Biol., 385, 2009
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3PBH
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![BU of 3pbh by Molmil](/molmil-images/mine/3pbh) | |
2VTE
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![BU of 2vte by Molmil](/molmil-images/mine/2vte) | Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor | Descriptor: | N-({7-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-D-glutamic acid, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | Authors: | Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S. | Deposit date: | 2008-05-14 | Release date: | 2008-11-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme. J. Med. Chem., 51, 2008
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3PEH
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![BU of 3peh by Molmil](/molmil-images/mine/3peh) | Crystal Structure of the N-terminal domain of an HSP90 from Plasmodium Falciparum, PFL1070c in the presence of a thienopyrimidine derivative | Descriptor: | 2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, Endoplasmin homolog, SULFATE ION | Authors: | Wernimont, A.K, Tempel, W, Hutchinson, A, Weadge, J, Cossar, D, MacKenzie, F, Vedadi, M, Senisterra, G, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P.G, Fairlamb, A.H, MacKenzie, C, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2010-10-26 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal Structure of the N-terminal domain of an HSP90 from Plasmodium Falciparum, PFL1070c in the presence of a thienopyrimidine derivative To be Published
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1Q99
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![BU of 1q99 by Molmil](/molmil-images/mine/1q99) | Crystal structure of the Saccharomyces cerevisiae SR protein kinsae, Sky1p, complexed with the non-hydrolyzable ATP analogue, AMP-PNP | Descriptor: | 1,2-ETHANEDIOL, METHANOL, NICKEL (II) ION, ... | Authors: | Nolen, B, Ngo, J, Chakrabarti, S, Vu, D, Adams, J.A, Ghosh, G. | Deposit date: | 2003-08-22 | Release date: | 2003-09-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Nucleotide-Induced Conformational Changes in the Saccharomyces cerevisiae SR Protein Kinase, Sky1p, Revealed by X-ray Crystallography Biochemistry, 42, 2003
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2X5X
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![BU of 2x5x by Molmil](/molmil-images/mine/2x5x) | The crystal structure of PhaZ7 at atomic (1.2 Angstrom) resolution reveals details of the active site and suggests a substrate binding mode | Descriptor: | CHLORIDE ION, IODIDE ION, PHB DEPOLYMERASE PHAZ7, ... | Authors: | Wakadkar, S, Hermawan, S, Jendrossek, D, Papageorgiou, A.C. | Deposit date: | 2010-02-11 | Release date: | 2010-06-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The structure of PhaZ7 at atomic (1.2 A) resolution reveals details of the active site and suggests a substrate-binding mode. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 66, 2010
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