3DV5
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![BU of 3dv5 by Molmil](/molmil-images/mine/3dv5) | Crystal structure of human beta-secretase in complex with NVP-BAV544 | Descriptor: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione, Beta-secretase 1 | Authors: | Rondeau, J.-M. | Deposit date: | 2008-07-18 | Release date: | 2009-02-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo. Bioorg.Med.Chem.Lett., 19, 2009
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1V6F
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![BU of 1v6f by Molmil](/molmil-images/mine/1v6f) | Solution Structure of Glia Maturation Factor-beta from Mus Musculus | Descriptor: | glia maturation factor, beta | Authors: | Goroncy, A.K, Kigawa, T, Koshiba, S, Tomizawa, T, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-11-29 | Release date: | 2004-05-29 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | NMR solution structures of actin depolymerizing factor homology domains. Protein Sci., 18, 2009
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7E4D
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![BU of 7e4d by Molmil](/molmil-images/mine/7e4d) | Crystal structure of PlDBR | Descriptor: | Double Bond Reductase | Authors: | Sugimoto, K, Senda, M, Senda, T. | Deposit date: | 2021-02-11 | Release date: | 2022-02-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Exploration and structure-based engineering of alkenal double bond reductases catalyzing the C alpha C beta double bond reduction of coniferaldehyde. N Biotechnol, 68, 2022
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7FBV
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3QBH
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![BU of 3qbh by Molmil](/molmil-images/mine/3qbh) | Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors | Descriptor: | (4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2H-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one, Beta-secretase 1 | Authors: | Rondeau, J.M. | Deposit date: | 2011-01-13 | Release date: | 2011-03-23 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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2RPJ
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![BU of 2rpj by Molmil](/molmil-images/mine/2rpj) | Solution structure of Fn14 CRD domain | Descriptor: | Tumor necrosis factor receptor superfamily member 12A | Authors: | He, F, Dang, W, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2008-05-19 | Release date: | 2009-03-24 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Solution structure of the cysteine-rich domain in Fn14, a member of the tumor necrosis factor receptor superfamily Protein Sci., 18, 2009
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7L4U
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![BU of 7l4u by Molmil](/molmil-images/mine/7l4u) | Crystal structure of human monoacylglycerol lipase in complex with compound 1h | Descriptor: | (5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one, CHLORIDE ION, Monoglyceride lipase | Authors: | Qin, L, Lane, W, Skene, R.J, Dougan, D. | Deposit date: | 2020-12-21 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety. J.Med.Chem., 64, 2021
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7L4W
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![BU of 7l4w by Molmil](/molmil-images/mine/7l4w) | Crystal structure of human monoacylglycerol lipase in complex with compound 2d | Descriptor: | (2s,4R)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one, Monoglyceride lipase | Authors: | Qin, L, Gay, S.C, Lane, W, Skene, R.J. | Deposit date: | 2020-12-21 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety. J.Med.Chem., 64, 2021
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7L4T
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![BU of 7l4t by Molmil](/molmil-images/mine/7l4t) | Crystal structure of human monoacylglycerol lipase in complex with compound 1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one, ACETATE ION, ... | Authors: | Qin, L, Gay, S.C, Lane, W, Skene, R.J. | Deposit date: | 2020-12-21 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety. J.Med.Chem., 64, 2021
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7L50
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![BU of 7l50 by Molmil](/molmil-images/mine/7l50) | Crystal structure of human monoacylglycerol lipase in complex with compound 4f | Descriptor: | (2s,4R)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one, ACETATE ION, Monoglyceride lipase | Authors: | Qin, L, Lane, W, Skene, R.J. | Deposit date: | 2020-12-21 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety. J.Med.Chem., 64, 2021
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5ZLQ
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![BU of 5zlq by Molmil](/molmil-images/mine/5zlq) | Crystal Structure of C1orf123 | Descriptor: | UPF0587 protein C1orf123, ZINC ION | Authors: | Furukawa, Y, Lim, C.T, Tosha, T. | Deposit date: | 2018-03-29 | Release date: | 2018-10-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a novel zinc-binding protein, C1orf123, as an interactor with a heavy metal-associated domain PLoS ONE, 13, 2018
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7WWT
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![BU of 7wwt by Molmil](/molmil-images/mine/7wwt) | Cu/Zn-superoxide dismutase from dog (Canis familiaris) | Descriptor: | COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION | Authors: | Narikiyo, S, Furukawa, Y, Akutsu, M. | Deposit date: | 2022-02-14 | Release date: | 2023-02-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Intrinsic structural vulnerability in the hydrophobic core induces species-specific aggregation of canine SOD1 with degenerative myelopathy-linked E40K mutation. J.Biol.Chem., 299, 2023
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7WWY
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7WX0
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![BU of 7wx0 by Molmil](/molmil-images/mine/7wx0) | |
7WX1
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2RSX
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![BU of 2rsx by Molmil](/molmil-images/mine/2rsx) | Solution structure of IseA, an inhibitor protein of DL-endopeptidases from Bacillus subtilis | Descriptor: | Uncharacterized protein yoeB | Authors: | Arai, R, Li, H, Tochio, N, Fukui, S, Kobayashi, N, Kitaura, C, Watanabe, S, Kigawa, T, Sekiguchi, J. | Deposit date: | 2012-08-09 | Release date: | 2012-10-31 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution Structure of IseA, an Inhibitor Protein of DL-Endopeptidases from Bacillus subtilis, Reveals a Novel Fold with a Characteristic Inhibitory Loop J.Biol.Chem., 287, 2012
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2V2Z
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![BU of 2v2z by Molmil](/molmil-images/mine/2v2z) | IspE in complex with ADP and CDPME | Descriptor: | 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL, 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Sgraja, T, Alphey, M.S, Hunter, W.N. | Deposit date: | 2007-06-08 | Release date: | 2007-06-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery. FEBS J., 275, 2008
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2V8P
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![BU of 2v8p by Molmil](/molmil-images/mine/2v8p) | IspE in complex with ADP and CDP | Descriptor: | 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Sgraja, T, Alphey, M.S, Hunter, W.N. | Deposit date: | 2007-08-13 | Release date: | 2007-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery. FEBS J., 275, 2008
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2V34
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![BU of 2v34 by Molmil](/molmil-images/mine/2v34) | IspE in complex with cytidine and ligand | Descriptor: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, CHLORIDE ION, ... | Authors: | Sgraja, T, Alphey, M.S, Hunter, W.N. | Deposit date: | 2007-06-11 | Release date: | 2007-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery. FEBS J., 275, 2008
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1B99
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![BU of 1b99 by Molmil](/molmil-images/mine/1b99) | 3'-FLUORO-URIDINE DIPHOSPHATE BINDING TO NUCLEOSIDE DIPHOSPHATE KINASE | Descriptor: | 2',3'-DIDEOXY-3'-FLUORO-URIDIDINE-5'-DIPHOSPHATE, PROTEIN (NUCLEOSIDE DIPHOSPHATE KINASE), PYROPHOSPHATE 2- | Authors: | Janin, J, Xu, Y. | Deposit date: | 1999-02-22 | Release date: | 1999-06-28 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Catalytic mechanism of nucleoside diphosphate kinase investigated using nucleotide analogues, viscosity effects, and X-ray crystallography. Biochemistry, 38, 1999
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6K9Y
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![BU of 6k9y by Molmil](/molmil-images/mine/6k9y) | Crystal structure of human VAT-1 | Descriptor: | NITRATE ION, Synaptic vesicle membrane protein VAT-1 homolog | Authors: | Watanabe, Y, Endo, T. | Deposit date: | 2019-06-19 | Release date: | 2020-02-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for interorganelle phospholipid transport mediated by VAT-1. J.Biol.Chem., 295, 2020
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2JNF
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1TIU
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![BU of 1tiu by Molmil](/molmil-images/mine/1tiu) | TITIN, IG REPEAT 27, NMR, 24 STRUCTURES | Descriptor: | TITIN, I27 | Authors: | Improta, S, Politou, A.S, Pastore, A. | Deposit date: | 1996-02-02 | Release date: | 1996-07-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Immunoglobulin-like modules from titin I-band: extensible components of muscle elasticity. Structure, 4, 1996
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1TIT
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![BU of 1tit by Molmil](/molmil-images/mine/1tit) | TITIN, IG REPEAT 27, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | TITIN, I27 | Authors: | Improta, S, Politou, A.S, Pastore, A. | Deposit date: | 1996-02-02 | Release date: | 1996-07-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Immunoglobulin-like modules from titin I-band: extensible components of muscle elasticity. Structure, 4, 1996
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8FX9
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![BU of 8fx9 by Molmil](/molmil-images/mine/8fx9) | |