4Z0Z
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4Z11
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4Z12
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![BU of 4z12 by Molmil](/molmil-images/mine/4z12) | Recombinantly expressed latent aurone synthase (polyphenol oxidase) co-crystallized with hexatungstotellurate(VI) | Descriptor: | 6-tungstotellurate(VI), Aurone synthase, COPPER (II) ION, ... | Authors: | Molitor, C, Mauracher, S.G, Rompel, A. | Deposit date: | 2015-03-26 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Aurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases. Proc.Natl.Acad.Sci.USA, 113, 2016
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4Z13
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![BU of 4z13 by Molmil](/molmil-images/mine/4z13) | Recombinantly expressed latent aurone synthase (polyphenol oxidase) co-crystallized with hexatungstotellurate(VI) and soaked in H2O2 | Descriptor: | 6-tungstotellurate(VI), Aurone synthase, COPPER (II) ION, ... | Authors: | Molitor, C, Mauracher, S.G, Rompel, A. | Deposit date: | 2015-03-26 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Aurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases. Proc.Natl.Acad.Sci.USA, 113, 2016
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4Z10
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![BU of 4z10 by Molmil](/molmil-images/mine/4z10) | Inactive aurone synthase (polyphenol oxidase) co-crystallized with 1,4-resorcinol | Descriptor: | ACETATE ION, Aurone synthase, COPPER (II) ION, ... | Authors: | Molitor, C, Mauracher, S.G, Rompel, A. | Deposit date: | 2015-03-26 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Inactive aurone synthase (polyphenol oxidase) co-crystallized with 1,4-resorcinol To Be Published
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4YMA
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![BU of 4yma by Molmil](/molmil-images/mine/4yma) | Structure of the ligand-binding domain of GluA2 in complex with the antagonist CNG10109 | Descriptor: | (3R)-3-(3-carboxy-5-hydroxyphenyl)-L-proline, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Moller, C, Tapken, D, Kastrup, J.S, Frydenvang, K. | Deposit date: | 2015-03-06 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Structure-Activity Relationship Study of Ionotropic Glutamate Receptor Antagonist (2S,3R)-3-(3-Carboxyphenyl)pyrrolidine-2-carboxylic Acid. J.Med.Chem., 58, 2015
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4YMB
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![BU of 4ymb by Molmil](/molmil-images/mine/4ymb) | Structure of the ligand-binding domain of GluK1 in complex with the antagonist CNG10111 | Descriptor: | (3R,4S)-3-(3-carboxyphenyl)-4-propyl-L-proline, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Moller, C, Tapken, D, Kastrup, J.S, Frydenvang, K. | Deposit date: | 2015-03-06 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structure-Activity Relationship Study of Ionotropic Glutamate Receptor Antagonist (2S,3R)-3-(3-Carboxyphenyl)pyrrolidine-2-carboxylic Acid. J.Med.Chem., 58, 2015
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4Z0Y
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![BU of 4z0y by Molmil](/molmil-images/mine/4z0y) | Active aurone synthase (polyphenol oxidase), copper B : sulfohistidine ~ 1.4 : 1 | Descriptor: | Aurone synthase, COPPER (II) ION, GLYCEROL | Authors: | Molitor, C, Mauracher, S.G, Rompel, A. | Deposit date: | 2015-03-26 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Aurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases. Proc.Natl.Acad.Sci.USA, 113, 2016
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4Z14
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1VKG
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![BU of 1vkg by Molmil](/molmil-images/mine/1vkg) | Crystal Structure of Human HDAC8 complexed with CRA-19156 | Descriptor: | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE, Histone deacetylase 8, SODIUM ION, ... | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | Deposit date: | 2004-05-13 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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4OUA
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![BU of 4oua by Molmil](/molmil-images/mine/4oua) | Coexistent single-crystal structure of latent and active mushroom tyrosinase (abPPO4) mediated by a hexatungstotellurate(VI) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-tungstotellurate(VI), COPPER (I) ION, ... | Authors: | St.Mauracher, G, Molitor, C, Al-Oweini, R, Kortz, U, Rompel, A. | Deposit date: | 2014-02-15 | Release date: | 2014-06-25 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.763 Å) | Cite: | Latent and active abPPO4 mushroom tyrosinase cocrystallized with hexatungstotellurate(VI) in a single crystal. Acta Crystallogr.,Sect.D, 70, 2014
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3D5O
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![BU of 3d5o by Molmil](/molmil-images/mine/3d5o) | Structural recognition and functional activation of FcrR by innate pentraxins | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Low affinity immunoglobulin gamma Fc region receptor II-a, ... | Authors: | Lu, J, Marnell, L.L, Marjon, K.D, Mold, C, Du Clos, T.W, Sun, P.D. | Deposit date: | 2008-05-16 | Release date: | 2008-11-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural recognition and functional activation of FcgammaR by innate pentraxins. Nature, 456, 2008
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2L4O
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![BU of 2l4o by Molmil](/molmil-images/mine/2l4o) | Solution structure of the Streptococcus pneumoniae RrgB pilus backbone D1 domain | Descriptor: | Cell wall surface anchor family protein | Authors: | Gentile, M.A, Melchiorre, S, Emolo, C, Moschioni, M, Gianfaldoni, C, Pancotto, L, Ferlenghi, I, Scarselli, M, Pansegrau, W, Veggi, D, Merola, M, Cantini, F, Ruggiero, P, Banci, L, Masignani, V. | Deposit date: | 2010-10-11 | Release date: | 2011-03-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the Streptococcus pneumoniae RrgB pilus backbone D1 domain: in vivo protection and implications for the molecular mechanisms of pilus polymerization To be Published
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1T67
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![BU of 1t67 by Molmil](/molmil-images/mine/1t67) | Crystal Structure of Human HDAC8 complexed with MS-344 | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, SODIUM ION, ... | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | Deposit date: | 2004-05-05 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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2O8Y
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![BU of 2o8y by Molmil](/molmil-images/mine/2o8y) | Apo IRAK4 Kinase Domain | Descriptor: | Interleukin-1 receptor-associated kinase 4 | Authors: | Boriack-Sjodin, P.A, Mol, C. | Deposit date: | 2006-12-12 | Release date: | 2007-12-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the apo and inhibited IRAK4 kinase domain To be Published
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1T64
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![BU of 1t64 by Molmil](/molmil-images/mine/1t64) | Crystal Structure of human HDAC8 complexed with Trichostatin A | Descriptor: | CALCIUM ION, Histone deacetylase 8, SODIUM ION, ... | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | Deposit date: | 2004-05-05 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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1T69
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![BU of 1t69 by Molmil](/molmil-images/mine/1t69) | Crystal Structure of human HDAC8 complexed with SAHA | Descriptor: | Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ZINC ION | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | Deposit date: | 2004-05-05 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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6TPE
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![BU of 6tpe by Molmil](/molmil-images/mine/6tpe) | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | Descriptor: | 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1 | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Jestel, A, Lammens, A, Ritzen, A. | Deposit date: | 2019-12-13 | Release date: | 2020-06-10 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J.Med.Chem., 63, 2020
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6EFE
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![BU of 6efe by Molmil](/molmil-images/mine/6efe) | NMR Solution Structure of vil14a | Descriptor: | Kappa-conotoxin vil14a | Authors: | Dovell, S, Mari, F, Moller, C, Melaun, C. | Deposit date: | 2018-08-16 | Release date: | 2018-09-05 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Definition of the R-superfamily of conotoxins: Structural convergence of helix-loop-helix peptidic scaffolds. Peptides, 107, 2018
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6TPF
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![BU of 6tpf by Molmil](/molmil-images/mine/6tpf) | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | Descriptor: | (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A. | Deposit date: | 2019-12-13 | Release date: | 2020-06-10 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J.Med.Chem., 63, 2020
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6EOA
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![BU of 6eoa by Molmil](/molmil-images/mine/6eoa) | Crystal Structure of HAL3 from Cryptococcus neoformans | Descriptor: | FLAVIN MONONUCLEOTIDE, Phosphopantothenoylcysteine decarboxylase | Authors: | Reverter, D, Zhang, C, Molero, C, Arino, J. | Deposit date: | 2017-10-09 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Characterization of the atypical Ppz/Hal3 phosphatase system from the pathogenic fungus Cryptococcus neoformans. Mol.Microbiol., 111, 2019
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4PHI
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![BU of 4phi by Molmil](/molmil-images/mine/4phi) | Crystal structure of HEWL with hexatungstotellurate(VI) | Descriptor: | 6-tungstotellurate(VI), ACETATE ION, GLYCEROL, ... | Authors: | Bijelic, A, Molitor, C, Mauracher, S.G, Al-Oweini, R, Kortz, U, Rompel, A. | Deposit date: | 2014-05-06 | Release date: | 2015-01-14 | Last modified: | 2015-01-21 | Method: | X-RAY DIFFRACTION (1.811 Å) | Cite: | Hen Egg-White Lysozyme Crystallisation: Protein Stacking and Structure Stability Enhanced by a Tellurium(VI)-Centred Polyoxotungstate. Chembiochem, 16, 2015
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2X9W
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![BU of 2x9w by Molmil](/molmil-images/mine/2x9w) | STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN, GLYCEROL | Authors: | Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I. | Deposit date: | 2010-03-25 | Release date: | 2010-06-30 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus. Plos One, 5, 2010
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2X9Z
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![BU of 2x9z by Molmil](/molmil-images/mine/2x9z) | STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN | Authors: | Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I. | Deposit date: | 2010-03-25 | Release date: | 2010-06-30 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus. Plos One, 5, 2010
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2X9Y
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![BU of 2x9y by Molmil](/molmil-images/mine/2x9y) | STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN | Authors: | Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I. | Deposit date: | 2010-03-25 | Release date: | 2010-06-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus. Plos One, 5, 2010
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