5HHM
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![BU of 5hhm by Molmil](/molmil-images/mine/5hhm) | Crystal Structure of the JM22 TCR in complex with HLA-A*0201 in complex with M1-F5L | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Gras, S, Josephs, T.M, Rossjohn, J. | Deposit date: | 2016-01-11 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular basis for universal HLA-A*0201-restricted CD8+ T-cell immunity against influenza viruses. Proc.Natl.Acad.Sci.USA, 113, 2016
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5HHP
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![BU of 5hhp by Molmil](/molmil-images/mine/5hhp) | Crystal Structure of HLA-A*0201 in complex with M1-G4E | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Gras, S, Josephs, T.M, Rossjohn, J. | Deposit date: | 2016-01-11 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis for universal HLA-A*0201-restricted CD8+ T-cell immunity against influenza viruses. Proc.Natl.Acad.Sci.USA, 113, 2016
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5I3O
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![BU of 5i3o by Molmil](/molmil-images/mine/5i3o) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide, SULFATE ION | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor To Be Published
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5I3R
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![BU of 5i3r by Molmil](/molmil-images/mine/5i3r) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide, PHOSPHATE ION | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor To Be Published
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3CIR
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![BU of 3cir by Molmil](/molmil-images/mine/3cir) | E. coli Quinol fumarate reductase FrdA T234A mutation | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Tomasiak, T.M, Maklashina, E, Cecchini, G, Iverson, T.M. | Deposit date: | 2008-03-11 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | A threonine on the active site loop controls transition state formation in Escherichia coli respiratory complex II. J.Biol.Chem., 283, 2008
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5IJ2
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![BU of 5ij2 by Molmil](/molmil-images/mine/5ij2) | SrpA adhesin in complex with sialyllactosamine | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Iverson, T.M. | Deposit date: | 2016-03-01 | Release date: | 2017-02-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.683 Å) | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand. Biochemistry, 2016
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5IJ9
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![BU of 5ij9 by Molmil](/molmil-images/mine/5ij9) | Cryo EM density of microtubule assembled from human TUBB3-D417H mutant | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ti, S.C, Pamula, M.C, Howes, S.C, Duellberg, C, Cade, N.I, Kleiner, R.E, Forth, S, Surrey, T, Nogales, E, Kapoor, T.M. | Deposit date: | 2016-03-01 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Mutations in Human Tubulin Proximal to the Kinesin-Binding Site Alter Dynamic Instability at Microtubule Plus- and Minus-Ends. Dev.Cell, 37, 2016
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5IJ1
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![BU of 5ij1 by Molmil](/molmil-images/mine/5ij1) | SrpA adhesin in complex with sialyllactose | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Iverson, T.M. | Deposit date: | 2016-03-01 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand. Biochemistry, 2016
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5IIY
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![BU of 5iiy by Molmil](/molmil-images/mine/5iiy) | SrpA adhesin in complex with the Neu5Ac-galactoside disaccharide | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | Authors: | Iverson, T.M. | Deposit date: | 2016-03-01 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.888 Å) | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand. Biochemistry, 2016
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6RSS
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![BU of 6rss by Molmil](/molmil-images/mine/6rss) | Solution structure of the fourth WW domain of WWP2 with GB1-tag | Descriptor: | NEDD4-like E3 ubiquitin-protein ligase WWP2 | Authors: | Wahl, L.C, Watt, J.E, Tolchard, J, Blumenschein, T.M.A, Chantry, A. | Deposit date: | 2019-05-22 | Release date: | 2019-10-09 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Smad7 Binds Differently to Individual and Tandem WW3 and WW4 Domains of WWP2 Ubiquitin Ligase Isoforms. Int J Mol Sci, 20, 2019
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5IJ0
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![BU of 5ij0 by Molmil](/molmil-images/mine/5ij0) | Cryo EM density of microtubule assembled from human TUBB3 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ti, S.-C, Pamula, M.C, Howes, S.C, Duellberg, C, Nicholas, C.I, Kleiner, R.E, Forth, S, Surrey, T, Nogales, E, Kapoor, T.M. | Deposit date: | 2016-03-01 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Mutations in Human Tubulin Proximal to the Kinesin-Binding Site Alter Dynamic Instability at Microtubule Plus- and Minus-Ends. Dev.Cell, 37, 2016
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6SCE
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![BU of 6sce by Molmil](/molmil-images/mine/6sce) | Structure of a Type III CRISPR defence DNA nuclease activated by cyclic oligoadenylate | Descriptor: | Uncharacterized protein, cyclic oligoadenylate | Authors: | McMahon, S.A, Zhu, W, Graham, S, White, M.F, Gloster, T.M. | Deposit date: | 2019-07-24 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure and mechanism of a Type III CRISPR defence DNA nuclease activated by cyclic oligoadenylate. Nat Commun, 11, 2020
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5IKW
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![BU of 5ikw by Molmil](/molmil-images/mine/5ikw) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-04 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with a 3-acylaminoindazole inhibitor GSK3236425A To Be Published
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5IJ3
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![BU of 5ij3 by Molmil](/molmil-images/mine/5ij3) | SrpA adhesin in complex with sialyl T antigen | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose, ... | Authors: | Iverson, T.M. | Deposit date: | 2016-03-01 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand. Biochemistry, 2016
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6SCF
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![BU of 6scf by Molmil](/molmil-images/mine/6scf) | A viral anti-CRISPR subverts type III CRISPR immunity by rapid degradation of cyclic oligoadenylate | Descriptor: | Uncharacterized protein, cyclic oligoadenylate | Authors: | McMahon, S.A, Athukoralage, J.S, Graham, S, White, M.F, Gloster, T.M. | Deposit date: | 2019-07-24 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | An anti-CRISPR viral ring nuclease subverts type III CRISPR immunity. Nature, 577, 2020
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5HHN
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![BU of 5hhn by Molmil](/molmil-images/mine/5hhn) | Crystal Structure of HLA-A*0201 in complex with M1-F5L | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Gras, S, Josephs, T.M, Rossjohn, J. | Deposit date: | 2016-01-11 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Molecular basis for universal HLA-A*0201-restricted CD8+ T-cell immunity against influenza viruses. Proc.Natl.Acad.Sci.USA, 113, 2016
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6T5Y
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![BU of 6t5y by Molmil](/molmil-images/mine/6t5y) | Crystal structure of AmpC from E.coli with Zidebactam (WCK 5107) | Descriptor: | (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, Beta-lactamase, CHLORIDE ION, ... | Authors: | Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J. | Deposit date: | 2019-10-17 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes. Antimicrob.Agents Chemother., 65, 2021
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6RAV
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![BU of 6rav by Molmil](/molmil-images/mine/6rav) | Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | Descriptor: | 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | Deposit date: | 2019-04-08 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases. Proc.Natl.Acad.Sci.USA, 116, 2019
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5J6F
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![BU of 5j6f by Molmil](/molmil-images/mine/5j6f) | Crystal structure of DAH7PS-CM complex from Geobacillus sp. with prephenate | Descriptor: | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, chorismate mutase-isozyme 3, MANGANESE (II) ION, ... | Authors: | Nazmi, A.R, Othman, M, Lang, E.J.M, Bai, Y, Allison, T.M, Panjkar, S, Arcus, V.L, Parker, E.J. | Deposit date: | 2016-04-04 | Release date: | 2016-09-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Interdomain Conformational Changes Provide Allosteric Regulation en Route to Chorismate. J. Biol. Chem., 291, 2016
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6T8W
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![BU of 6t8w by Molmil](/molmil-images/mine/6t8w) | Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | Descriptor: | 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, Complement factor B, SULFATE ION, ... | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Sweeney, A.M, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Wu, M.S, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, Erkenez, A.D, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | Deposit date: | 2019-10-25 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
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5JNF
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![BU of 5jnf by Molmil](/molmil-images/mine/5jnf) | |
6T8U
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![BU of 6t8u by Molmil](/molmil-images/mine/6t8u) | Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine | Descriptor: | 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, Complement factor B, SULFATE ION | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | Deposit date: | 2019-10-25 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
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6TBW
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![BU of 6tbw by Molmil](/molmil-images/mine/6tbw) | Crystal structure of AmpC from E.coli with Avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ... | Authors: | Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J. | Deposit date: | 2019-11-04 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes. Antimicrob.Agents Chemother., 65, 2021
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5IUC
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![BU of 5iuc by Molmil](/molmil-images/mine/5iuc) | Crystal structure of the GspB siglec domain with sialyl T antigen bound | Descriptor: | MAGNESIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose, Platelet binding protein GspB | Authors: | Loukachevitch, L.V, Fialkowski, K.P, Wawrzak, Z, Iverson, T.M. | Deposit date: | 2016-03-17 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.253 Å) | Cite: | A structural model for binding of the serine-rich repeat adhesin GspB to host carbohydrate receptors. PLoS Pathog., 7, 2011
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6TB8
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![BU of 6tb8 by Molmil](/molmil-images/mine/6tb8) | Dye Type Peroxidase Aa from Streptomyces lividans: spectroscopically-validated ferric state | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lucic, M, Moreno-Chicano, T.M, Hough, M.A, Dworkowski, F.S.N, Worrall, J.A.R. | Deposit date: | 2019-11-01 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A subtle structural change in the distal haem pocket has a remarkable effect on tuning hydrogen peroxide reactivity in dye decolourising peroxidases from Streptomyces lividans. Dalton Trans, 49, 2020
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