2QPZ
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![BU of 2qpz by Molmil](/molmil-images/mine/2qpz) | Naphthalene 1,2-dioxygenase Rieske ferredoxin | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Naphthalene 1,2-dioxygenase system ferredoxin subunit | Authors: | Brown, E.N, Ramaswamy, S, Karlsson, A, Friemann, R, Parales, J.V, Parales, R, Gibson, D.T. | Deposit date: | 2007-07-25 | Release date: | 2008-09-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Determining Rieske cluster reduction potentials. J.Biol.Inorg.Chem., 13, 2008
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2GBW
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![BU of 2gbw by Molmil](/molmil-images/mine/2gbw) | Crystal Structure of Biphenyl 2,3-Dioxygenase from Sphingomonas yanoikuyae B1 | Descriptor: | Biphenyl 2,3-Dioxygenase Alpha Subunit, Biphenyl 2,3-Dioxygenase Beta Subunit, FE (III) ION, ... | Authors: | Ferraro, D.J, Brown, E.N, Yu, C, Parales, R.E, Gibson, D.T, Ramaswamy, S. | Deposit date: | 2006-03-12 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1. Bmc Struct.Biol., 7, 2007
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2GBX
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![BU of 2gbx by Molmil](/molmil-images/mine/2gbx) | Crystal Structure of Biphenyl 2,3-Dioxygenase from Sphingomonas yanoikuyae B1 Bound to Biphenyl | Descriptor: | BIPHENYL, Biphenyl 2,3-Dioxygenase Alpha Subunit, Biphenyl 2,3-Dioxygenase Beta Subunit, ... | Authors: | Ferraro, D.J, Brown, E.N, Yu, C, Parales, R.E, Gibson, D.T, Ramaswamy, S. | Deposit date: | 2006-03-12 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1. Bmc Struct.Biol., 7, 2007
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7ZDQ
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![BU of 7zdq by Molmil](/molmil-images/mine/7zdq) | Cryo-EM structure of Human ACE2 bound to a high-affinity SARS CoV-2 mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1 | Authors: | Bate, N, Savva, C.G, Moody, P.C.E, Brown, E.A, Schwabe, W.R, Brindle, N.P.J, Ball, J.K, Sale, J.E. | Deposit date: | 2022-03-29 | Release date: | 2022-05-18 | Last modified: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | In vitro evolution predicts emerging SARS-CoV-2 mutations with high affinity for ACE2 and cross-species binding. Plos Pathog., 18, 2022
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6MJ1
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![BU of 6mj1 by Molmil](/molmil-images/mine/6mj1) | |
6ED7
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![BU of 6ed7 by Molmil](/molmil-images/mine/6ed7) | Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor MAC13772 | Descriptor: | 2-[(2-nitrophenyl)sulfanyl]acetohydrazide, 7,8-diamino-pelargonic acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Brown, C.M, Zlitni, S, Chan, J, Brown, E.D, Junop, M.S. | Deposit date: | 2018-08-08 | Release date: | 2019-08-21 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor MAC13772 To Be Published
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2ANO
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![BU of 2ano by Molmil](/molmil-images/mine/2ano) | Crystal structure of E.coli dihydrofolate reductase in complex with NADPH and the inhibitor MS-SH08-17 | Descriptor: | 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE, Dihydrofolate reductase, MANGANESE (II) ION, ... | Authors: | Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S. | Deposit date: | 2005-08-11 | Release date: | 2006-07-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region J.Med.Chem., 49, 2006
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5VL0
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![BU of 5vl0 by Molmil](/molmil-images/mine/5vl0) | horse liver alcohol dehydrogenase complexed with NADH and N-benzyformamide | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V, Brown, E.N, Ramaswamy, S, Baskar Raj, S. | Deposit date: | 2017-04-24 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Horse Liver Alcohol Dehydrogenase: Zinc Coordination and Catalysis. Biochemistry, 56, 2017
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4A2I
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![BU of 4a2i by Molmil](/molmil-images/mine/4a2i) | Cryo-electron Microscopy Structure of the 30S Subunit in Complex with the YjeQ Biogenesis Factor | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Jomaa, A, Stewart, G, Mears, J.A, Kireeva, I, Brown, E.D, Ortega, J. | Deposit date: | 2011-09-27 | Release date: | 2011-11-02 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (16.5 Å) | Cite: | Cryo-Electron Microscopy Structure of the 30S Subunit in Complex with the Yjeq Biogenesis Factor. RNA, 17, 2011
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2I7F
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![BU of 2i7f by Molmil](/molmil-images/mine/2i7f) | Sphingomonas yanoikuyae B1 ferredoxin | Descriptor: | CITRIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin component of dioxygenase, ... | Authors: | Ramaswamy, S, Brown, E.N. | Deposit date: | 2006-08-30 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1. Bmc Struct.Biol., 7, 2007
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6U1Q
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![BU of 6u1q by Molmil](/molmil-images/mine/6u1q) | Crystal Structure of VpsO (VC0937) Kinase domain | Descriptor: | O-PHOSPHOTYROSINE, VpsO | Authors: | Tripathi, S.M, Schwechheimer, C, Herbert, K, Porcella, M.E, Brown, E.R, Yildiz, F.H, Rubin, S.M. | Deposit date: | 2019-08-16 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | A tyrosine phosphoregulatory system controls exopolysaccharide biosynthesis and biofilm formation in Vibrio cholerae. Plos Pathog., 16, 2020
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2ANQ
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![BU of 2anq by Molmil](/molmil-images/mine/2anq) | Crystal Structure of E.coli DHFR in complex with NADPH and the inhibitor compound 10a. | Descriptor: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate), Dihydrofolate reductase, MANGANESE (II) ION, ... | Authors: | Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S. | Deposit date: | 2005-08-11 | Release date: | 2006-07-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region J.Med.Chem., 49, 2006
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1GVE
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![BU of 1gve by Molmil](/molmil-images/mine/1gve) | Aflatoxin aldehyde reductase (AKR7A1) from Rat Liver | Descriptor: | AFLATOXIN B1 ALDEHYDE REDUCTASE MEMBER 3, CITRIC ACID, GLYCEROL, ... | Authors: | Kozma, E, Brown, E, Ellis, E.M, Lapthorn, A.J. | Deposit date: | 2002-02-08 | Release date: | 2002-06-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | The Crystal Structure of Rat Liver Akr7A1: A Dimeric Member of the Aldo-Keto Reductase Superfamily J.Biol.Chem., 277, 2002
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5FA7
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![BU of 5fa7 by Molmil](/molmil-images/mine/5fa7) | CTX-M-15 in complex with FPI-1523 | Descriptor: | Beta-lactamase, [[(3~{R},6~{S})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | Deposit date: | 2015-12-11 | Release date: | 2016-01-20 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5FAT
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![BU of 5fat by Molmil](/molmil-images/mine/5fat) | OXA-48 in complex with FPI-1602 | Descriptor: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | Deposit date: | 2015-12-12 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5FAO
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![BU of 5fao by Molmil](/molmil-images/mine/5fao) | CTX-M-15 in complex with FPI-1465 | Descriptor: | Beta-lactamase, [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | Deposit date: | 2015-12-11 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5FAP
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![BU of 5fap by Molmil](/molmil-images/mine/5fap) | CTX-M-15 in complex with FPI-1602 | Descriptor: | Beta-lactamase, [[(3~{R},6~{S})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | Deposit date: | 2015-12-11 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5FAS
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![BU of 5fas by Molmil](/molmil-images/mine/5fas) | OXA-48 in complex with FPI-1523 | Descriptor: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | Deposit date: | 2015-12-11 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5FAQ
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![BU of 5faq by Molmil](/molmil-images/mine/5faq) | OXA-48 in complex with FPI-1465 | Descriptor: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | Deposit date: | 2015-12-11 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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2B7L
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![BU of 2b7l by Molmil](/molmil-images/mine/2b7l) | Crystal Structure of CTP:Glycerol-3-Phosphate Cytidylyltransferase from Staphylococcus aureus | Descriptor: | glycerol-3-phosphate cytidylyltransferase | Authors: | Fong, D.H, Yim, V.C.-N, D'Elia, M.A, Brown, E.D, Berghuis, A.M. | Deposit date: | 2005-10-04 | Release date: | 2006-06-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of CTP:glycerol-3-phosphate cytidylyltransferase from Staphylococcus aureus: examination of structural basis for kinetic mechanism. Biochim.Biophys.Acta, 1764, 2006
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3KSN
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![BU of 3ksn by Molmil](/molmil-images/mine/3ksn) | Crystal structure of the lipoprotein localization factor, LolA | Descriptor: | Outer-membrane lipoprotein carrier protein | Authors: | Ahmadpour, F, Gloyd, M, Guarne, A, Stewart, G, Pathania, R, Brown, E.D. | Deposit date: | 2009-11-23 | Release date: | 2010-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the lipoprotein localization factor, LolA To be Published
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5FBH
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![BU of 5fbh by Molmil](/molmil-images/mine/5fbh) | Crystal structure of the extracellular domain of human calcium sensing receptor with bound Gd3+ | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHLORIDE ION, ... | Authors: | Zhang, T, Zhang, C, Miller, C.L, Zou, J, Moremen, K.W, Brown, E.M, Yang, J.J, Hu, J. | Deposit date: | 2015-12-14 | Release date: | 2016-06-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist. Sci Adv, 2, 2016
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5FBK
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![BU of 5fbk by Molmil](/molmil-images/mine/5fbk) | Crystal structure of the extracellular domain of human calcium sensing receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHLORIDE ION, ... | Authors: | Zhang, T, Zhang, C, Miller, C.L, Zou, J, Moremen, K.W, Brown, E.M, Yang, J.J, Hu, J. | Deposit date: | 2015-12-14 | Release date: | 2016-06-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist. Sci Adv, 2, 2016
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4L39
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![BU of 4l39 by Molmil](/molmil-images/mine/4l39) | Crystal structure of GH3.12 from Arabidopsis thaliana in complex with AMPCPP and salicylate | Descriptor: | 2-HYDROXYBENZOIC ACID, 4-substituted benzoates-glutamate ligase GH3.12, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | Zubieta, C, Jez, J.M, Brown, E, Marcellin, R, Kapp, U, Round, A, Westfall, C. | Deposit date: | 2013-06-05 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Determination of the GH3.12 protein conformation through HPLC-integrated SAXS measurements combined with X-ray crystallography. Acta Crystallogr.,Sect.D, 69, 2013
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3EN1
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![BU of 3en1 by Molmil](/molmil-images/mine/3en1) | Crystal structure of Toluene 2,3-Dioxygenase | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Benzene 1,2-dioxygenase subunit alpha, Benzene 1,2-dioxygenase subunit beta, ... | Authors: | Friemann, R, Lee, K, Brown, E.N, Gibson, D.T, Eklund, H, Ramaswamy, S. | Deposit date: | 2008-09-25 | Release date: | 2009-03-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of the multicomponent Rieske non-heme iron toluene 2,3-dioxygenase enzyme system Acta Crystallogr.,Sect.D, 65, 2009
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