4CN5
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![BU of 4cn5 by Molmil](/molmil-images/mine/4cn5) | Crystal Structure of the Human Retinoid X Receptor DNA-Binding Domain Bound to the Human Nr1d1 Response Element | Descriptor: | 5'-D(*AP*TP*TP*GP*AP*AP*CP*TP*CP*TP*GP*AP*CP*CP *CP*CP*AP)-3', 5'-D(*TP*GP*GP*GP*GP*TP*CP*AP*GP*AP*GP*TP*TP*CP *AP*AP*TP)-3', CHLORIDE ION, ... | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Osz, J, Rochel, N. | Deposit date: | 2014-01-21 | Release date: | 2015-02-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis of Natural Promoter Recognition by the Retinoid X Nuclear Receptor. Sci.Rep., 5, 2015
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4CP3
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![BU of 4cp3 by Molmil](/molmil-images/mine/4cp3) | The structure of BCL6 BTB (POZ) domain in complex with the ansamycin antibiotic rifabutin. | Descriptor: | B-CELL LYMPHOMA 6 PROTEIN, RIFABUTIN | Authors: | Evans, S.E, Fairall, L, Goult, B.T, Jamieson, A.G, Ferrigno, P.K, Ford, R, Wagner, S.D, Schwabe, J.W.R. | Deposit date: | 2014-01-31 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Ansamycin Antibiotic, Rifamycin Sv, Inhibits Bcl6 Transcriptional Repression and Forms a Complex with the Bcl6-Btb/Poz Domain. Plos One, 9, 2014
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4COQ
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![BU of 4coq by Molmil](/molmil-images/mine/4coq) | The complex of alpha-Carbonic anhydrase from Thermovibrio ammonificans with inhibitor sulfanilamide. | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CARBONATE DEHYDRATASE, CHLORIDE ION, ... | Authors: | James, P, Isupov, M.N, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J.A. | Deposit date: | 2014-01-30 | Release date: | 2014-10-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Structure of a Tetrameric [Alpha]-Carbonic Anhydrase from Thermovibrio Ammonificans Reveals a Core Formed Around Intermolecular Disulfides that Contribute to its Thermostability Acta Crystallogr.,Sect.D, 70, 2014
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5OY4
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![BU of 5oy4 by Molmil](/molmil-images/mine/5oy4) | GSK3beta complex with N-(6-(3,4-dihydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide | Descriptor: | Glycogen synthase kinase-3 beta, Proto-oncogene FRAT1, SULFATE ION, ... | Authors: | Bax, B.D, Convery, M.A. | Deposit date: | 2017-09-07 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | From PIM1 to PI3K delta via GSK3 beta : Target Hopping through the Kinome. ACS Med Chem Lett, 8, 2017
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5Q0D
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![BU of 5q0d by Molmil](/molmil-images/mine/5q0d) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2017-05-01 | Release date: | 2017-07-12 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency. Bioorg. Med. Chem. Lett., 27, 2017
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5Q0F
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![BU of 5q0f by Molmil](/molmil-images/mine/5q0f) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ... | Authors: | Sheriff, S. | Deposit date: | 2017-05-01 | Release date: | 2017-07-12 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency. Bioorg. Med. Chem. Lett., 27, 2017
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5Q0H
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![BU of 5q0h by Molmil](/molmil-images/mine/5q0h) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2017-05-01 | Release date: | 2017-07-12 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency. Bioorg. Med. Chem. Lett., 27, 2017
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4CYI
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![BU of 4cyi by Molmil](/molmil-images/mine/4cyi) | Chaetomium thermophilum Pan3 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN3-LIKE PROTEIN, ... | Authors: | Wolf, J, Valkov, E, Allen, M.D, Meineke, B, Gordiyenko, Y, McLaughlin, S.H, Olsen, T.M, Robinson, C.V, Bycroft, M, Stewart, M, Passmore, L.A. | Deposit date: | 2014-04-11 | Release date: | 2014-06-11 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural Basis for Pan3 Binding to Pan2 and its Function in Mrna Recruitment and Deadenylation Embo J., 33, 2014
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4D1J
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![BU of 4d1j by Molmil](/molmil-images/mine/4d1j) | The structure of the GH35 beta-galactosidase Bgl35A from Cellvibrio japonicas in complex with 1-Deoxygalactonojirimycin | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, ACETATE ION, BETA-GALACTOSIDASE, ... | Authors: | Larsbrink, J, Thompson, A.J, Lundqvist, M, Gardner, J.G, Davies, G.J, Brumer, H. | Deposit date: | 2014-05-02 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Complex Gene Locus Enables Xyloglucan Utilization in the Model Saprophyte Cellvibrio Japonicus. Mol.Microbiol., 94, 2014
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4CXS
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![BU of 4cxs by Molmil](/molmil-images/mine/4cxs) | G4 mutant of PAS, arylsulfatase from Pseudomonas aeruginosa, in complex with Phenylphosphonic acid | Descriptor: | ARYLSULFATASE, CALCIUM ION, SULFATE ION, ... | Authors: | Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | Deposit date: | 2014-04-08 | Release date: | 2015-05-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4D6D
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![BU of 4d6d by Molmil](/molmil-images/mine/4d6d) | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the blood group A-trisaccharide (X02 mutant) | Descriptor: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose | Authors: | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | Deposit date: | 2014-11-11 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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4D76
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![BU of 4d76 by Molmil](/molmil-images/mine/4d76) | Human FXIa in complex with small molecule inhibitors. | Descriptor: | COAGULATION FACTOR XI, GLYCEROL, N-[(2S)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide, ... | Authors: | Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T. | Deposit date: | 2014-11-20 | Release date: | 2016-01-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd). To be Published
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4CM3
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![BU of 4cm3 by Molmil](/molmil-images/mine/4cm3) | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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4CSK
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![BU of 4csk by Molmil](/molmil-images/mine/4csk) | human Aquaporin | Descriptor: | AQUAPORIN-1 | Authors: | Ruiz-Carrillo, D, To-Yiu-Ying, J, Darwis, D, Soon, C.H, Cornvik, T, Torres, J, Lescar, J. | Deposit date: | 2014-03-08 | Release date: | 2014-12-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | Crystallization and Preliminary Crystallographic Analysis of Human Aquaporin 1 at a Resolution of 3.28 A. Acta Crystallogr.,Sect.F, 70, 2014
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4D4B
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![BU of 4d4b by Molmil](/molmil-images/mine/4d4b) | The catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with MSMSMe | Descriptor: | 1,2-ETHANEDIOL, ALPHA-1,6-MANNANASE, alpha-D-mannopyranose-(1-6)-methyl 1,6-dithio-alpha-D-mannopyranoside | Authors: | Thompson, A.J, Speciale, G, Iglesias-Fernandez, J, Hakki, Z, Belz, T, Cartmell, A, Spears, R.J, Stepper, J, Gilbert, H.J, Rovira, C, Williams, S.J, Davies, G.J. | Deposit date: | 2014-10-27 | Release date: | 2015-03-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism Angew.Chem.Int.Ed.Engl., 54, 2015
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4CRI
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![BU of 4cri by Molmil](/molmil-images/mine/4cri) | Crystal Structure of 53BP1 tandem tudor domains in complex with methylated K810 Rb peptide | Descriptor: | RB1 PROTEIN, TUMOR SUPPRESSOR P53-BINDING PROTEIN 1 | Authors: | Krojer, T, Johansson, C, Gileadi, C, Fedorov, O, Carr, S, La Thangue, N.B, Vollmar, M, Crawley, L, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U. | Deposit date: | 2014-02-26 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Lysine Methylation-Dependent Binding of 53BP1 to the Prb Tumor Suppressor. Proc.Natl.Acad.Sci.USA, 111, 2014
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4CYW
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![BU of 4cyw by Molmil](/molmil-images/mine/4cyw) | Structure of the A_mallard_Sweden_51_2002 H10 Avian Haemmaglutinin in complex with human receptor analog 6-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vachieri, S.G, Xiong, X, Collins, P.J, Walker, P.A, Martin, S.R, Haire, L.F, McCauley, J.W, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2014-04-15 | Release date: | 2014-06-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Receptor Binding by H10 Influenza Viruses. Nature, 511, 2014
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4CRS
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![BU of 4crs by Molmil](/molmil-images/mine/4crs) | Human Protein Kinase N2 (PKN2, PRKCL2) in complex with ATPgammaS | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SERINE/THREONINE-PROTEIN KINASE N2, ... | Authors: | Mathea, S, Elkins, J.M, Shrestha, L, Szklarz, M, Tallant, C, Newman, J.A, Cooper, C.D, Shrestha, B, Tumber, A, Cocking, R, Salah, E, von Delft, F, Arrowsmith, C, Edwards, A.M, Bountra, C, Knapp, S. | Deposit date: | 2014-02-28 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of Pkn2 To be Published
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4CUT
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![BU of 4cut by Molmil](/molmil-images/mine/4cut) | Crystal structure of human BAZ2B in complex with fragment-5 N09428 | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B, N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | Authors: | Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F. | Deposit date: | 2014-03-21 | Release date: | 2014-04-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.835 Å) | Cite: | Crystal Structure of Human Baz2B in Complex with Fragment-5 N09428 To be Published
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4D2B
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![BU of 4d2b by Molmil](/molmil-images/mine/4d2b) | Structure of a ligand free POT family peptide transporter | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, DI-OR TRIPEPTIDE:H+ SYMPORTER, ... | Authors: | Lyons, J.A, Parker, J.L, Solcan, N, Brinth, A, Li, D, Shah, S.T.A, Caffrey, M, Newstead, S. | Deposit date: | 2014-05-09 | Release date: | 2014-06-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Basis for Polyspecificity in the Pot Family of Proton-Coupled Oligopeptide Transporters. Embo Rep., 15, 2014
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4CPO
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![BU of 4cpo by Molmil](/molmil-images/mine/4cpo) | Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B. | Deposit date: | 2014-02-08 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses. J.Infect.Dis., 210, 2014
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4CPY
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![BU of 4cpy by Molmil](/molmil-images/mine/4cpy) | Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus in complex with Oseltamivir | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B. | Deposit date: | 2014-02-09 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses. J.Infect.Dis., 210, 2014
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4CYV
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![BU of 4cyv by Molmil](/molmil-images/mine/4cyv) | Structure of the A_mallard_Sweden_51_2002 H10 Avian Haemmaglutinin | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vachieri, S.G, Xiong, X, Collins, P.J, Walker, P.A, Martin, S.R, Haire, L.F, McCauley, J.W, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2014-04-15 | Release date: | 2014-06-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Receptor Binding by H10 Influenza Viruses. Nature, 511, 2014
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5QJ2
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![BU of 5qj2 by Molmil](/molmil-images/mine/5qj2) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) OMPLEX WITH COMPOUND-20 AKA 7-((3-(1-METHYL-1H-PYRAZOL-3- YL)BENZYL)OXY)- 1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | Authors: | Khan, J.A. | Deposit date: | 2018-09-26 | Release date: | 2019-02-06 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Potent Triazolopyridine Myeloperoxidase Inhibitors. ACS Med Chem Lett, 9, 2018
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4BMT
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![BU of 4bmt by Molmil](/molmil-images/mine/4bmt) | Crystal Structure of Ribonucleotide Reductase di-iron NrdF from Bacillus cereus | Descriptor: | FE (II) ION, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE SUBUNIT BETA | Authors: | Hersleth, H.-P, Tomter, A.B, Hammerstad, M, Rohr, A.K, Andersson, K.K. | Deposit date: | 2013-05-10 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Bacillus Cereus Class Ib Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi. Acs Chem.Biol., 9, 2014
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