2VA7
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![BU of 2va7 by Molmil](/molmil-images/mine/2va7) | X-ray crystal structure of beta secretase complexed with compound 27 | Descriptor: | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | Deposit date: | 2007-08-30 | Release date: | 2007-11-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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2VA5
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![BU of 2va5 by Molmil](/molmil-images/mine/2va5) | X-ray crystal structure of beta secretase complexed with compound 8c | Descriptor: | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L, Patel, S, Spear, N, Tian, G. | Deposit date: | 2007-08-30 | Release date: | 2007-11-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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2VA6
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![BU of 2va6 by Molmil](/molmil-images/mine/2va6) | X-ray crystal structure of beta secretase complexed with compound 24 | Descriptor: | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA SECRETASE 1, IODIDE ION | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | Deposit date: | 2007-08-30 | Release date: | 2007-11-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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4UHR
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![BU of 4uhr by Molmil](/molmil-images/mine/4uhr) | Thermostabilised HUMAN A2a Receptor with CGS21680 bound | Descriptor: | 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE, THERMOSTABILISED HUMAN A2A RECEPTOR | Authors: | Lebon, G, Edwards, P.C, Leslie, A.G.W, Tate, C.G. | Deposit date: | 2015-03-25 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Determinants of Cgs21680 Binding to the Human Adenosine A2A Receptor. Mol.Pharmacol., 87, 2015
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4UG2
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![BU of 4ug2 by Molmil](/molmil-images/mine/4ug2) | Thermostabilised HUMAN A2a Receptor with CGS21680 bound | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE, THERMOSTABILISED HUMAN A2A RECEPTOR | Authors: | Lebon, G, Edwards, P.C, Leslie, A.G.W, Tate, C.G. | Deposit date: | 2015-03-21 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Determinants of Cgs21680 Binding to the Human Adenosine A2A Receptor. Mol.Pharmacol., 87, 2015
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8PM2
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![BU of 8pm2 by Molmil](/molmil-images/mine/8pm2) | Structure of the murine trace amine-associated receptor TAAR7f bound to N,N-dimethylcyclohexylamine (DMCH) in complex with mini-Gs trimeric G protein | Descriptor: | CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Gusach, A, Lee, Y, Edwards, P.C, Huang, F, Weyand, S.N, Tate, C.G. | Deposit date: | 2023-06-28 | Release date: | 2023-08-09 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Molecular recognition of an aversive odorant by the murine trace amine-associated receptor TAAR7f. Biorxiv, 2023
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4A4M
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![BU of 4a4m by Molmil](/molmil-images/mine/4a4m) | Crystal structure of the light-activated constitutively active N2C, M257Y,D282C rhodopsin mutant in complex with a peptide resembling the C-terminus of the Galpha-protein subunit (GaCT) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GUANINE NUCLEOTIDE-BINDING PROTEIN G(T) SUBUNIT ALPHA-3, ... | Authors: | Deupi, X, Edwards, P, Singhal, A, Nickle, B, Oprian, D.D, Schertler, G.F.X, Standfuss, J. | Deposit date: | 2011-10-17 | Release date: | 2012-01-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Stabilized G Protein Binding Site in the Structure of Constitutively Active Metarhodopsin-II. Proc.Natl.Acad.Sci.USA, 109, 2012
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8PWR
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![BU of 8pwr by Molmil](/molmil-images/mine/8pwr) | TINA-conjugated antiparallel DNA triplex | Descriptor: | DNA (5'-D(*AP*GP*GP*AP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*TP*CP*CP*T)-3'), DNA (5'-D(*TP*GP*GP*TP*GP*(J32)P*GP*T)-3') | Authors: | Garavis, M, Edwards, P.J.B, Serrano-Chacon, I, Doluca, O, Filichev, V.V, Gonzalez, C. | Deposit date: | 2023-07-21 | Release date: | 2024-01-17 | Last modified: | 2024-03-27 | Method: | SOLUTION NMR | Cite: | Understanding intercalative modulation of G-rich sequence folding: solution structure of a TINA-conjugated antiparallel DNA triplex. Nucleic Acids Res., 52, 2024
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6IBL
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![BU of 6ibl by Molmil](/molmil-images/mine/6ibl) | ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND AGONIST FORMOTEROL AND NANOBODY Nb80 | Descriptor: | Camelid antibody fragment Nb80, HEGA-10, SODIUM ION, ... | Authors: | Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G. | Deposit date: | 2018-11-30 | Release date: | 2019-01-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis of beta-arrestin coupling to formoterol-bound beta1-adrenoceptor. Nature, 583, 2020
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4AMJ
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![BU of 4amj by Molmil](/molmil-images/mine/4amj) | Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist carvedilol | Descriptor: | (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL, BETA-1 ADRENERGIC RECEPTOR, HEGA-10, ... | Authors: | Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G. | Deposit date: | 2012-03-12 | Release date: | 2012-05-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol Structure, 20, 2012
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6U1L
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![BU of 6u1l by Molmil](/molmil-images/mine/6u1l) | Structure of two-domain translational regulator Yih1 reveals a possible mechanism of action | Descriptor: | Protein IMPACT homolog | Authors: | Harjes, E, Jameson, G.B, Edwards, P.J.B, Goroncy, A.K, Loo, T, Norris, G.E. | Deposit date: | 2019-08-16 | Release date: | 2021-02-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Experimentally based structural model of Yih1 provides insight into its function in controlling the key translational regulator Gcn2. Febs Lett., 595, 2021
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6U1O
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![BU of 6u1o by Molmil](/molmil-images/mine/6u1o) | Structure of two-domain translational regulator Yih1 reveals a possible mechanism of action | Descriptor: | Protein IMPACT homolog | Authors: | Harjes, E, Jameson, G.B, Edwards, P.J.B, Goroncy, A.K, Loo, T, Norris, G.E. | Deposit date: | 2019-08-16 | Release date: | 2021-02-10 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Experimentally based structural model of Yih1 provides insight into its function in controlling the key translational regulator Gcn2. Febs Lett., 595, 2021
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1E5M
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![BU of 1e5m by Molmil](/molmil-images/mine/1e5m) | |
4AMI
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![BU of 4ami by Molmil](/molmil-images/mine/4ami) | Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist bucindolol | Descriptor: | 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile, BETA-1 ADRENERGIC RECEPTOR, HEGA-10 | Authors: | Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G. | Deposit date: | 2012-03-11 | Release date: | 2012-05-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol Structure, 20, 2012
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1B3N
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![BU of 1b3n by Molmil](/molmil-images/mine/1b3n) | BETA-KETOACYL CARRIER PROTEIN SYNTHASE AS A DRUG TARGET, IMPLICATIONS FROM THE CRYSTAL STRUCTURE OF A COMPLEX WITH THE INHIBITOR CERULENIN. | Descriptor: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, PROTEIN (KETOACYL ACYL CARRIER PROTEIN SYNTHASE 2) | Authors: | Moche, M, Schneider, G, Edwards, P, Dehesh, K, Lindqvist, Y. | Deposit date: | 1998-12-14 | Release date: | 1999-04-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of the complex between the antibiotic cerulenin and its target, beta-ketoacyl-acyl carrier protein synthase. J.Biol.Chem., 274, 1999
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1OSH
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![BU of 1osh by Molmil](/molmil-images/mine/1osh) | A Chemical, Genetic, and Structural Analysis of the nuclear bile acid receptor FXR | Descriptor: | Bile acid receptor, METHYL 3-{3-[(CYCLOHEXYLCARBONYL){[4'-(DIMETHYLAMINO)BIPHENYL-4-YL]METHYL}AMINO]PHENYL}ACRYLATE | Authors: | Downes, M, Verdecia, M.A, Roecker, A.J, Hughes, R, Hogenesch, J.B, Kast-Woelbern, H.R, Bowman, M.E, Ferrer, J.-L, Anisfeld, A.M, Edwards, P.A, Rosenfeld, J.M, Alvarez, J.G.A, Noel, J.P, Nicolaou, K.C, Evans, R.M. | Deposit date: | 2003-03-19 | Release date: | 2003-09-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A chemical, genetic, and structural analysis of the nuclear bile acid receptor FXR Mol.Cell, 11, 2003
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8DFZ
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![BU of 8dfz by Molmil](/molmil-images/mine/8dfz) | |
1KAS
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![BU of 1kas by Molmil](/molmil-images/mine/1kas) | BETA-KETOACYL-ACP SYNTHASE II FROM ESCHERICHIA COLI | Descriptor: | BETA-KETOACYL ACP SYNTHASE II | Authors: | Huang, W, Jia, J, Edwards, P, Dehesh, K, Schneider, G, Lindqvist, Y. | Deposit date: | 1997-12-22 | Release date: | 1999-03-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of beta-ketoacyl-acyl carrier protein synthase II from E.coli reveals the molecular architecture of condensing enzymes. EMBO J., 17, 1998
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2KUY
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![BU of 2kuy by Molmil](/molmil-images/mine/2kuy) | Structure of Glycocin F | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prebacteriocin glycocin F | Authors: | Venugopal, H, Edwards, P, Schwalbe, M, Claridge, J, Stepper, J, Patchett, M, Loo, T, Libich, D, Norris, G, Pascal, S. | Deposit date: | 2010-03-01 | Release date: | 2011-05-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural, dynamic, and chemical characterization of a novel s-glycosylated bacteriocin. Biochemistry, 50, 2011
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6G79
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![BU of 6g79 by Molmil](/molmil-images/mine/6g79) | Coupling specificity of heterotrimeric Go to the serotonin 5-HT1B receptor | Descriptor: | 2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{H}-indol-3-yl]ethylazanium, 5-hydroxytryptamine receptor 1B, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Garcia-Nafria, J, Nehme, R, Edwards, P, Tate, C.G. | Deposit date: | 2018-04-05 | Release date: | 2018-06-20 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Cryo-EM structure of the serotonin 5-HT1Breceptor coupled to heterotrimeric Go. Nature, 558, 2018
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6FUF
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![BU of 6fuf by Molmil](/molmil-images/mine/6fuf) | Crystal structure of the rhodopsin-mini-Go complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(o) subunit alpha, RETINAL, ... | Authors: | Tsai, C.-J, Weinert, T, Muehle, J, Pamula, F, Nehme, R, Flock, T, Nogly, P, Edwards, P.C, Carpenter, B, Gruhl, T, Ma, P, Deupi, X, Standfuss, J, Tate, C.G, Schertler, G.F.X. | Deposit date: | 2018-02-27 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.117 Å) | Cite: | Crystal structure of rhodopsin in complex with a mini-Gosheds light on the principles of G protein selectivity. Sci Adv, 4, 2018
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2KXG
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![BU of 2kxg by Molmil](/molmil-images/mine/2kxg) | The solution structure of the squash aspartic acid proteinase inhibitor (SQAPI) | Descriptor: | Aspartic protease inhibitor | Authors: | Headey, S.J, Macaskill, U.K, Wright, M, Claridge, J.K, Edwards, P.J.B, Farley, P.C, Christeller, J.T, Laing, W.A, Pascal, S.M. | Deposit date: | 2010-05-05 | Release date: | 2010-06-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the squash aspartic acid proteinase inhibitor (SQAPI) and mutational analysis of pepsin inhibition. J.Biol.Chem., 285, 2010
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6BQI
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![BU of 6bqi by Molmil](/molmil-images/mine/6bqi) | Structure of two-domain translational regulator Yih1 reveals a possible mechanism of action | Descriptor: | Protein IMPACT homolog | Authors: | Harjes, E, Jameson, G.B, Edwards, P.J.B, Goroncy, A.K, Loo, T, Norris, G.E. | Deposit date: | 2017-11-27 | Release date: | 2018-11-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | Experimentally based structural model of Yih1 provides insight into its function in controlling the key translational regulator Gcn2. Febs Lett., 2020
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3J7Y
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![BU of 3j7y by Molmil](/molmil-images/mine/3j7y) | Structure of the large ribosomal subunit from human mitochondria | Descriptor: | 16S rRNA, ADENOSINE MONOPHOSPHATE, CRIF1, ... | Authors: | Brown, A, Amunts, A, Bai, X.C, Sugimoto, Y, Edwards, P.C, Murshudov, G, Scheres, S.H.W, Ramakrishnan, V. | Deposit date: | 2014-08-26 | Release date: | 2014-10-15 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of the large ribosomal subunit from human mitochondria. Science, 346, 2014
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6H7J
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![BU of 6h7j by Molmil](/molmil-images/mine/6h7j) | ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND AGONIST ISOPRENALINE AND NANOBODY Nb80 | Descriptor: | Beta-1 adrenergic receptor, Camelid antibody fragment Nb80, HEGA-10, ... | Authors: | Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G. | Deposit date: | 2018-07-31 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular basis for high-affinity agonist binding in GPCRs. Science, 364, 2019
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