5MI2
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![BU of 5mi2 by Molmil](/molmil-images/mine/5mi2) | The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The 10-th structure of the series with total exposition time 273 min. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COPPER (II) ION, ... | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | Deposit date: | 2016-11-27 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism. Acta Crystallogr D Struct Biol, 73, 2017
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5MIC
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![BU of 5mic by Molmil](/molmil-images/mine/5mic) | The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The 13-th structure of the series with total exposition time 363 min. | Descriptor: | CITRIC ACID, COPPER (II) ION, Laccase 2, ... | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | Deposit date: | 2016-11-28 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism. Acta Crystallogr D Struct Biol, 73, 2017
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6TP2
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3AJN
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![BU of 3ajn by Molmil](/molmil-images/mine/3ajn) | Structural basis of glycine amide on suppression of protein aggregation by high resolution X-ray analysis | Descriptor: | AMINOMETHYLAMIDE, CHLORIDE ION, Lysozyme C, ... | Authors: | Ito, L, Shiraki, K, Hasegawa, K, Kumasaka, T. | Deposit date: | 2010-06-09 | Release date: | 2011-02-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Glycine amide shielding on the aromatic surfaces of lysozyme: Implication for suppression of protein aggregation Febs Lett., 585, 2011
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5MXF
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![BU of 5mxf by Molmil](/molmil-images/mine/5mxf) | Photorhabdus asymbiotica lectin (PHL) in complex with alpha-methyl fucoside | Descriptor: | CHLORIDE ION, Photorhabdus asymbiotica lectin PHL, SODIUM ION, ... | Authors: | Jancarikova, G, Houser, J, Demo, G, Wimmerova, M. | Deposit date: | 2017-01-23 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of novel bangle lectin from Photorhabdus asymbiotica with dual sugar-binding specificity and its effect on host immunity. PLoS Pathog., 13, 2017
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5UDY
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![BU of 5udy by Molmil](/molmil-images/mine/5udy) | Human alkaline sphingomyelinase (alk-SMase, ENPP7, NPP7) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gorelik, A, Liu, F, Illes, K, Nagar, B. | Deposit date: | 2016-12-28 | Release date: | 2017-03-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the human alkaline sphingomyelinase provides insights into substrate recognition. J. Biol. Chem., 292, 2017
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6TKI
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![BU of 6tki by Molmil](/molmil-images/mine/6tki) | Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 12.7keV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin heavy chain, ... | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | Deposit date: | 2019-11-28 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates. Cell Chem Biol, 28, 2021
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4R50
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![BU of 4r50 by Molmil](/molmil-images/mine/4r50) | Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Li+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, Potassium channel protein | Authors: | De March, M, Napolitano, L.M.R, Onesti, S. | Deposit date: | 2014-08-20 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels. Proc.Natl.Acad.Sci.USA, 112, 2015
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6TKL
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![BU of 6tkl by Molmil](/molmil-images/mine/6tkl) | Non-cleavable tsetse thrombin inhibitor in complex with human alpha-thrombin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ... | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | Deposit date: | 2019-11-28 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates. Cell Chem Biol, 28, 2021
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2YD3
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![BU of 2yd3 by Molmil](/molmil-images/mine/2yd3) | Crystal structure of the N-terminal Ig1-2 module of Human Receptor Protein Tyrosine Phosphatase Sigma | Descriptor: | CHLORIDE ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE S, SODIUM ION | Authors: | Coles, C.H, Shen, Y, Tenney, A.P, Siebold, C, Sutton, G.C, Lu, W, Gallagher, J.T, Jones, E.Y, Flanagan, J.G, Aricescu, A.R. | Deposit date: | 2011-03-17 | Release date: | 2011-04-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Proteoglycan-Specific Molecular Switch for Rptp Sigma Clustering and Neuronal Extension. Science, 332, 2011
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2YJ7
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![BU of 2yj7 by Molmil](/molmil-images/mine/2yj7) | Crystal structure of a hyperstable protein from the Precambrian period | Descriptor: | LPBCA THIOREDOXIN, SODIUM ION | Authors: | Gavira, J.A, Ingles, A, Ibarra, B, Garcia-Ruiz, J.M. | Deposit date: | 2011-05-19 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Conservation of Protein Structure Over Four Billion Years Structure, 21, 2013
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6T56
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![BU of 6t56 by Molmil](/molmil-images/mine/6t56) | Thrombin in Complex with Benzylamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZYLAMINE, GLYCEROL, ... | Authors: | Ngo, K, Abazi, N, Heine, A, Klebe, G. | Deposit date: | 2019-10-15 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Thrombin in Complex with Benzylamine To Be Published
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5MXG
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![BU of 5mxg by Molmil](/molmil-images/mine/5mxg) | Photorhabdus asymbiotica lectin (PHL) in complex with blood group H trisaccharide | Descriptor: | Photorhabdus asymbiotica lectin PHL, SODIUM ION, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Jancarikova, G, Houser, J, Demo, G, Wimmerova, M. | Deposit date: | 2017-01-23 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Characterization of novel bangle lectin from Photorhabdus asymbiotica with dual sugar-binding specificity and its effect on host immunity. PLoS Pathog., 13, 2017
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6T89
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![BU of 6t89 by Molmil](/molmil-images/mine/6t89) | Thrombin in complex with (S)-N-(tert-butyl)-4-(3-(3-carbamimidoylphenyl)-2-((2',4'-dimethoxy-[1,1'-biphenyl])-3-sulfonamido)propanoyl)piperazine-1-carboxamide (MI-498) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ... | Authors: | Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. | Deposit date: | 2019-10-24 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors Eur.J.Med.Chem., 2022
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6T99
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6TQ4
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![BU of 6tq4 by Molmil](/molmil-images/mine/6tq4) | Crystal structure of the Orexin-1 receptor in complex with Compound 16 | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-16 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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4R0C
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![BU of 4r0c by Molmil](/molmil-images/mine/4r0c) | Crystal structure of the Alcanivorax borkumensis YdaH transporter reveals an unusual topology | Descriptor: | AbgT putative transporter family, DODECYL-BETA-D-MALTOSIDE, SODIUM ION, ... | Authors: | Su, C.-C, Bolla, J.R, Yu, E.W. | Deposit date: | 2014-07-30 | Release date: | 2015-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.963 Å) | Cite: | Crystal structure of the Alcanivorax borkumensis YdaH transporter reveals an unusual topology. Nat Commun, 6, 2015
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5N04
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![BU of 5n04 by Molmil](/molmil-images/mine/5n04) | X-ray crystal structure of an LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Lo Leggio, L. | Deposit date: | 2017-02-02 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Unliganded and substrate bound structures of the cellooligosaccharide active lytic polysaccharide monooxygenase LsAA9A at low pH. Carbohydr. Res., 448, 2017
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6T8A
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![BU of 6t8a by Molmil](/molmil-images/mine/6t8a) | Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl 2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ... | Authors: | Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. | Deposit date: | 2019-10-24 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl-2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492) to be published
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6TKG
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![BU of 6tkg by Molmil](/molmil-images/mine/6tkg) | Tsetse thrombin inhibitor in complex with human alpha-thrombin - orthorhombic form at 12keV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ... | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | Deposit date: | 2019-11-28 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates. Cell Chem Biol, 28, 2021
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6T2Q
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![BU of 6t2q by Molmil](/molmil-images/mine/6t2q) | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16, ... | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | Deposit date: | 2019-10-09 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown. Nat Commun, 11, 2020
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5NJR
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![BU of 5njr by Molmil](/molmil-images/mine/5njr) | Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 50s time-delay, phased with 4ET8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J. | Deposit date: | 2017-03-29 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mix-and-diffuse serial synchrotron crystallography. IUCrJ, 4, 2017
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6TSN
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![BU of 6tsn by Molmil](/molmil-images/mine/6tsn) | Marasmius oreades agglutinin (MOA), papain back.swap W208Q-Q276W variant | Descriptor: | 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ... | Authors: | Cordara, G, Manna, D, Krengel, U. | Deposit date: | 2019-12-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti . Curr Res Struct Biol, 2, 2020
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5GLR
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![BU of 5glr by Molmil](/molmil-images/mine/5glr) | Crystal structure of CoXyl43, GH43 beta-xylosidase/alpha-arabinofuranosidase from a compostmicrobial metagenome in complex with l-arabinose and xylotriose, calcium-bound form | Descriptor: | CALCIUM ION, Glycoside hydrolase family 43, SODIUM ION, ... | Authors: | Matsuzawa, T, Kishine, N, Fujimoto, Z, Yaoi, K. | Deposit date: | 2016-07-12 | Release date: | 2017-03-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of metagenomic beta-xylosidase/ alpha-l-arabinofuranosidase activated by calcium. J. Biochem., 162, 2017
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6T57
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![BU of 6t57 by Molmil](/molmil-images/mine/6t57) | Thrombin in Complex with a D-Phe-Pro-N-amidinopiperidine Derivative | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Ngo, K, Abazi, N, Heine, A, Klebe, G. | Deposit date: | 2019-10-15 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Thrombin in Complex with a D-Phe-Pro-N-amidinopiperidine Derivative To Be Published
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