5M92
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![BU of 5m92 by Molmil](/molmil-images/mine/5m92) | PCE reductive dehalogenase from S. multivorans in complex with 2,4-dibromophenol | Descriptor: | 2,4-bis(bromanyl)phenol, BENZAMIDINE, BROMIDE ION, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-31 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.785 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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5M8Z
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![BU of 5m8z by Molmil](/molmil-images/mine/5m8z) | PCE reductive dehalogenase from S. multivorans in complex with 2,3-difluorophenol | Descriptor: | 2,3-bis(fluoranyl)phenol, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-30 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.659 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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5MA2
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![BU of 5ma2 by Molmil](/molmil-images/mine/5ma2) | PCE reductive dehalogenase from S. multivorans in complex with 4-iodophenol | Descriptor: | 4-IODOPHENOL, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-11-03 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.879 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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5M91
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![BU of 5m91 by Molmil](/molmil-images/mine/5m91) | PCE reductive dehalogenase from S. multivorans in complex with 2,6-dibromophenol | Descriptor: | 2,6-bis(bromanyl)phenol, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-31 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.719 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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4IRZ
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![BU of 4irz by Molmil](/molmil-images/mine/4irz) | Crystal structure of A4b7 headpiece complexed with Fab Natalizumab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yu, Y, Schurpf, T, Springer, T.A. | Deposit date: | 2013-01-15 | Release date: | 2013-09-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | How natalizumab binds and antagonizes alpha 4 integrins. J.Biol.Chem., 288, 2013
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1PZ7
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![BU of 1pz7 by Molmil](/molmil-images/mine/1pz7) | Modulation of agrin function by alternative splicing and Ca2+ binding | Descriptor: | Agrin, CALCIUM ION | Authors: | Stetefeld, J, Alexandrescu, A.T, Maciejewski, M.W, Jenny, M, Rathgeb-Szabo, K, Schulthess, T, Landwehr, R, Frank, S, Ruegg, M.A, Kammerer, R.A. | Deposit date: | 2003-07-10 | Release date: | 2004-04-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.421 Å) | Cite: | Modulation of agrin function by alternative splicing and Ca2+ binding. STRUCTURE, 12, 2004
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1Q56
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![BU of 1q56 by Molmil](/molmil-images/mine/1q56) | NMR structure of the B0 isoform of the agrin G3 domain in its Ca2+ bound state | Descriptor: | Agrin | Authors: | Stetefeld, J, Alexandrescu, A.T, Maciejewski, M.W, Jenny, M, Rathgeb-Szabo, K, Schulthess, T, Landwehr, R, Frank, S, Ruegg, M.A, Kammerer, R.A. | Deposit date: | 2003-08-06 | Release date: | 2004-04-13 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Modulation of agrin function by alternative splicing and Ca2+ binding Structure, 12, 2004
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1PZ8
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![BU of 1pz8 by Molmil](/molmil-images/mine/1pz8) | Modulation of agrin function by alternative splicing and Ca2+ binding | Descriptor: | Agrin, CALCIUM ION | Authors: | Stetefeld, J, Alexandrescu, A.T, Maciejewski, M.W, Jenny, M, Rathgeb-Szabo, K, Schulthess, T, Landwehr, R, Frank, S, Ruegg, M.A, Kammerer, R.A. | Deposit date: | 2003-07-10 | Release date: | 2004-04-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Modulation of agrin function by alternative splicing and Ca2+ binding. STRUCTURE, 12, 2004
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1PZ9
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![BU of 1pz9 by Molmil](/molmil-images/mine/1pz9) | Modulation of agrin function by alternative splicing and Ca2+ binding | Descriptor: | Agrin | Authors: | Stetefeld, J, Alexandrescu, A.T, Maciejewski, M.W, Jenny, M, Rathgeb-Szabo, K, Schulthess, T, Landwehr, R, Frank, S, Ruegg, M.A, Kammerer, R.A. | Deposit date: | 2003-07-10 | Release date: | 2004-04-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Modulation of agrin function by alternative splicing and Ca2+ binding. STRUCTURE, 12, 2004
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3UUO
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![BU of 3uuo by Molmil](/molmil-images/mine/3uuo) | The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia | Descriptor: | 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ho, G.D, Yang, S, Smotryski, J, Bercovici, A, Nechuta, T, Smith, E.M, McElroy, W, Tan, Z, Tulshian, D, Mckittrick, B, Greenlee, W.J, Hruza, A, Xiao, L, Rindgen, D, Guzzi, M, Zhang, X, Bleickardt, C, Mullins, D, Hodgson, R. | Deposit date: | 2011-11-28 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia. Bioorg.Med.Chem.Lett., 22, 2012
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1FBM
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![BU of 1fbm by Molmil](/molmil-images/mine/1fbm) | ASSEMBLY DOMAIN OF CARTILAGE OLIGOMERIC MATRIX PROTEIN IN COMPLEX WITH ALL-TRANS RETINOL | Descriptor: | PROTEIN (CARTILAGE OLIGOMERIC MATRIX PROTEIN), RETINOL | Authors: | Guo, Y, Bozic, D, Malashkevich, V.N, Kammerer, R.A, Schulthess, T. | Deposit date: | 2000-07-16 | Release date: | 2000-08-02 | Last modified: | 2018-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | All-trans retinol, vitamin D and other hydrophobic compounds bind in the axial pore of the five-stranded coiled-coil domain of cartilage oligomeric matrix protein. EMBO J., 17, 1998
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5OBP
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![BU of 5obp by Molmil](/molmil-images/mine/5obp) | PCE reductive dehalogenase from S. multivorans with 6-hydroxybenzimidazolyl norcobamide cofactor | Descriptor: | 6-hydroxybenzimidazolyl-norcobamide, BENZAMIDINE, GLYCEROL, ... | Authors: | Keller, S, Kunze, C, Bommer, M, Paetz, C, Menezes, R.C, Svatos, A, Dobbek, H, Schubert, T. | Deposit date: | 2017-06-28 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.593 Å) | Cite: | Selective Utilization of Benzimidazolyl-Norcobamides as Cofactors by the Tetrachloroethene Reductive Dehalogenase of Sulfurospirillum multivorans. J. Bacteriol., 200, 2018
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5OBI
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![BU of 5obi by Molmil](/molmil-images/mine/5obi) | PCE reductive dehalogenase from S. multivorans with 5-METHOXYBENZIMIDAZOLYL-NORCOBAMIDE cofactor | Descriptor: | 5-Methoxybenzimidazolyl-norcobamide, BENZAMIDINE, GLYCEROL, ... | Authors: | Keller, S, Kunze, C, Bommer, M, Paetz, C, Menezes, R.C, Svatos, A, Dobbek, H, Schubert, T. | Deposit date: | 2017-06-27 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Selective Utilization of Benzimidazolyl-Norcobamides as Cofactors by the Tetrachloroethene Reductive Dehalogenase of Sulfurospirillum multivorans. J. Bacteriol., 200, 2018
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8PM0
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8R3K
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8POH
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![BU of 8poh by Molmil](/molmil-images/mine/8poh) | |
8PNQ
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8PNP
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8R3L
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![BU of 8r3l by Molmil](/molmil-images/mine/8r3l) | Influenza A/H7N9 polymerase in pre-initiation state, intermediate conformation (I) with PB2-C(I), ENDO(T), and Pol II pS5 CTD peptide mimic bound in site 1A/2A | Descriptor: | 3' vRNA end (51-mer vRNA loop), Polymerase acidic protein, Polymerase basic protein 2, ... | Authors: | Arragain, B, Cusack, S. | Deposit date: | 2023-11-09 | Release date: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | The host RNA polymerase II C-terminal domain is the anchor for replication of the influenza virus genome. Nat Commun, 15, 2024
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7AWI
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![BU of 7awi by Molmil](/molmil-images/mine/7awi) | Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-benzyl-1H-indol-4-yl)oxy)ethyl)amino)methyl]piperidine-1-carboxylate | Descriptor: | 2-((1-benzyl-1H-indol-4-yl)oxy)-N-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Goral, I, Wieckowska, A. | Deposit date: | 2020-11-08 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties. Eur.J.Med.Chem., 225, 2021
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8OV5
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7Z4O
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7Z43
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7Z42
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6FFZ
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![BU of 6ffz by Molmil](/molmil-images/mine/6ffz) | Crystal structure of R. ruber ADH-A, mutant F43H, Y54L | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | Deposit date: | 2018-01-09 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Directed Evolution of Alcohol Dehydrogenase for Improved Stereoselective Redox Transformations of 1-Phenylethane-1,2-diol and Its Corresponding Acyloin. Biochemistry, 57, 2018
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