4AZY
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![BU of 4azy by Molmil](/molmil-images/mine/4azy) | Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND 10) | Descriptor: | (1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine, ACETATE ION, BETA-SECRETASE 1, ... | Authors: | Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J. | Deposit date: | 2012-06-27 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides. J. Med. Chem., 55, 2012
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4B00
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![BU of 4b00 by Molmil](/molmil-images/mine/4b00) | Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND (R)-41) | Descriptor: | 5-{(1R)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1H)-one, ACETATE ION, BETA-SECRETASE 1 | Authors: | Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J. | Deposit date: | 2012-06-27 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides. J. Med. Chem., 55, 2012
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4AWM
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![BU of 4awm by Molmil](/molmil-images/mine/4awm) | Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with (-)-epigallocatechin gallate from green tea | Descriptor: | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, MANGANESE (II) ION, POLYMERASE PA | Authors: | Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S. | Deposit date: | 2012-06-04 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase. Plos Pathog., 8, 2012
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4AWK
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![BU of 4awk by Molmil](/molmil-images/mine/4awk) | Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo compound 1 | Descriptor: | (2Z)-4-[(3S)-1-(benzylsulfonyl)-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, POLYMERASE PA | Authors: | Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S. | Deposit date: | 2012-06-04 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase. Plos Pathog., 8, 2012
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4CB5
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![BU of 4cb5 by Molmil](/molmil-images/mine/4cb5) | Structure of Influenza A H5N1 PB2 cap-binding domain with bound cap analogue (compound 8f) | Descriptor: | 9-N-(3-CARBOXY-4-HYDROXYPHENYL)KETOMETHYL-7-N-METHYLGUANINE, CHLORIDE ION, POLYMERASE BASIC SUBUNIT 2 | Authors: | Pautus, S, Sehr, P, Lewis, J, Fortune, A, Wolkerstorfer, A, Szolar, O, Gulligay, D, Lunardi, T, Decout, J.L, Cusack, S. | Deposit date: | 2013-10-10 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | New 7-Methyl-Guanosine Derivatives Targeting the Influenza Polymerase Pb2 CAP-Binding Domain J.Med.Chem., 56, 2013
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4CB6
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![BU of 4cb6 by Molmil](/molmil-images/mine/4cb6) | Structure of Influenza A H5N1 PB2 cap-binding domain with bound cap analogue (compound 11) | Descriptor: | 2,9-N,N-DI(4-CARBOXYBUTYL)-7-N-METHYLGUANINE, IODIDE ION, POLYMERASE BASIC SUBUNIT 2 | Authors: | Pautus, S, Sehr, P, Lewis, J, Fortune, A, Wolkerstorfer, A, Szolar, O, Gulligay, D, Lunardi, T, Decout, J.L, Cusack, S. | Deposit date: | 2013-10-10 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New 7-Methyl-Guanosine Derivatives Targeting the Influenza Polymerase Pb2 CAP-Binding Domain J.Med.Chem., 56, 2013
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4CB4
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![BU of 4cb4 by Molmil](/molmil-images/mine/4cb4) | Structure of Influenza A H5N1 PB2 cap-binding domain with bound m7GTP | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, POLYMERASE BASIC SUBUNIT 2 | Authors: | Pautus, S, Sehr, P, Lewis, J, Fortune, A, Wolkerstorfer, A, Szolar, O, Gulligay, D, Lunardi, T, Decout, J.L, Cusack, S. | Deposit date: | 2013-10-10 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | New 7-Methyl-Guanosine Derivatives Targeting the Influenza Polymerase Pb2 CAP-Binding Domain J.Med.Chem., 56, 2013
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4CB7
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![BU of 4cb7 by Molmil](/molmil-images/mine/4cb7) | Structure of Influenza A H5N1 PB2 cap-binding domain with bound cap analogue (compound 8e) | Descriptor: | 5-[2-(2-azanyl-7-methyl-6-oxidanylidene-1H-purin-9-ium-9-yl)ethanoyl]-2-oxidanyl-benzoic acid, GLYCEROL, POLYMERASE BASIC SUBUNIT 2 | Authors: | Pautus, S, Sehr, P, Lewis, J, Fortune, A, Wolkerstorfer, A, Szolar, O, Gulligay, D, Lunardi, T, Decout, J.L, Cusack, S. | Deposit date: | 2013-10-10 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | New 7-Methyl-Guanosine Derivatives Targeting the Influenza Polymerase Pb2 CAP-Binding Domain J.Med.Chem., 56, 2013
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2TNF
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![BU of 2tnf by Molmil](/molmil-images/mine/2tnf) | 1.4 A RESOLUTION STRUCTURE OF MOUSE TUMOR NECROSIS FACTOR, TOWARDS MODULATION OF ITS SELECTIVITY AND TRIMERISATION | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ISOPROPYL ALCOHOL, PROTEIN (TUMOR NECROSIS FACTOR ALPHA) | Authors: | Baeyens, K.J, De Bondt, H.L, Raeymaekers, A, Fiers, W, De Ranter, C.J. | Deposit date: | 1998-10-12 | Release date: | 1999-10-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The structure of mouse tumour-necrosis factor at 1.4 A resolution: towards modulation of its selectivity and trimerization. Acta Crystallogr.,Sect.D, 55, 1999
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3V71
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![BU of 3v71 by Molmil](/molmil-images/mine/3v71) | Crystal structure of PUF-6 in complex with 5BE13 RNA | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Puf (Pumilio/fbf) domain-containing protein 7, confirmed by transcript evidence, ... | Authors: | Qiu, C, Kershner, A, Wang, Y, Holley, C.H, Wilinski, D, Keles, S, Kimble, J, Wickens, M, Hall, T.M.T. | Deposit date: | 2011-12-20 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.902 Å) | Cite: | Divergence of PUF protein specificity through variations in an RNA-binding pocket J.Biol.Chem., 2012
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3V6Y
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![BU of 3v6y by Molmil](/molmil-images/mine/3v6y) | crystal structure of FBF-2 in complex with a mutant gld-1 FBEa13 RNA | Descriptor: | Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*AP*CP*UP*GP*UP*GP*CP*CP*AP*UP*AP*C)-3') | Authors: | Qiu, C, Kershner, A, Wang, Y, Holley, C.H, Wilinski, D, Keles, S, Kimble, J, Wickens, M, Hall, T.M.T. | Deposit date: | 2011-12-20 | Release date: | 2012-01-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Divergence of PUF protein specificity through variations in an RNA-binding pocket J.Biol.Chem., 2012
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3V74
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![BU of 3v74 by Molmil](/molmil-images/mine/3v74) | crystal structure of FBF-2 in complex with gld-1 FBEa13 RNA | Descriptor: | Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*CP*AP*UP*GP*UP*GP*CP*CP*AP*UP*AP*C)-3') | Authors: | Wang, Y, Qiu, C, Kershner, A, Holley, C.P, Wilinski, D, Keles, S, Kimble, J, Wickens, M, Hall, T.M.T. | Deposit date: | 2011-12-20 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Divergence of PUF protein specificity through variations in an RNA-binding pocket J.Biol.Chem., 2012
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4AVL
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![BU of 4avl by Molmil](/molmil-images/mine/4avl) | Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with dTMP | Descriptor: | MANGANESE (II) ION, POLYMERASE PA, THYMIDINE-5'-PHOSPHATE | Authors: | Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H.J, Ruigrok, R.W.H, Cusack, S. | Deposit date: | 2012-05-28 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase. Plos Pathog., 8, 2012
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4AWH
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![BU of 4awh by Molmil](/molmil-images/mine/4awh) | Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with rUMP | Descriptor: | MANGANESE (II) ION, POLYMERASE PA, URIDINE-5'-MONOPHOSPHATE | Authors: | Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S. | Deposit date: | 2012-06-03 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase. Plos Pathog., 8, 2012
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4AVG
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![BU of 4avg by Molmil](/molmil-images/mine/4avg) | Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo compound 2 | Descriptor: | (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid, MANGANESE (II) ION, POLYMERASE PA | Authors: | Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S. | Deposit date: | 2012-05-25 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase. Plos Pathog., 8, 2012
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4AWG
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![BU of 4awg by Molmil](/molmil-images/mine/4awg) | Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo compound 3 | Descriptor: | (2Z)-4-[(3S)-1-benzyl-3-(4-chlorobenzyl)piperidin-3-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, POLYMERASE PA, ... | Authors: | Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S. | Deposit date: | 2012-06-03 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase. Plos Pathog., 8, 2012
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4AWF
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![BU of 4awf by Molmil](/molmil-images/mine/4awf) | Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with 2 4-dioxo-4-phenylbutanoic acid DPBA | Descriptor: | 2-4-DIOXO-4-PHENYLBUTANOIC ACID, MANGANESE (II) ION, POLYMERASE PA | Authors: | Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S. | Deposit date: | 2012-06-03 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase. Plos Pathog., 8, 2012
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4AVQ
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![BU of 4avq by Molmil](/molmil-images/mine/4avq) | Influenza strain pH1N1 2009 polymerase subunit PA endonuclease | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, POLYMERASE PA | Authors: | Kowalinski, E, Zubieta, C, Wolkerstorfer, A, Szolar, O.H, Ruigrok, R.W, Cusack, S. | Deposit date: | 2012-05-29 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza Ph1N1 (2009) Polymerase. Plos Pathog., 8, 2012
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4B78
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![BU of 4b78 by Molmil](/molmil-images/mine/4b78) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (3R,5R)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1 | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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4B72
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![BU of 4b72 by Molmil](/molmil-images/mine/4b72) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (6R)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine, BETA-SECRETASE 1 | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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4B70
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![BU of 4b70 by Molmil](/molmil-images/mine/4b70) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (2S)-2-[3-(3-chlorophenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine, BETA-SECRETASE 1 | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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4B77
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![BU of 4b77 by Molmil](/molmil-images/mine/4b77) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (5R)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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8VZO
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![BU of 8vzo by Molmil](/molmil-images/mine/8vzo) | |
8VZN
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![BU of 8vzn by Molmil](/molmil-images/mine/8vzn) | |
7ALQ
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![BU of 7alq by Molmil](/molmil-images/mine/7alq) | human GCH-GFRP inhibitory complex 7-deaza-GTP bound | Descriptor: | 7,8-DIHYDROBIOPTERIN, 7-deaza-GTP, GTP cyclohydrolase 1, ... | Authors: | Ebenhoch, R, Nar, H. | Deposit date: | 2020-10-07 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.205 Å) | Cite: | Biophysical and structural investigation of the regulation of human GTP cyclohydrolase I by its regulatory protein GFRP. J.Struct.Biol., 213, 2021
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