6EPO
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![BU of 6epo by Molmil](/molmil-images/mine/6epo) | RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F3 | Descriptor: | 3-(4-chlorophenyl)propan-1-amine, GLYCEROL, GTPase KRas, ... | Authors: | Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V. | Deposit date: | 2017-10-12 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6H9G
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![BU of 6h9g by Molmil](/molmil-images/mine/6h9g) | Influenza A nucleoprotein docked into 3D helical structure of the wild type ribonucleoprotein complex obtained using cryoEM. Conformation 1. | Descriptor: | Nucleoprotein, Polypeptide loop | Authors: | Coloma, R, Arranz, R, de la Rosa-Trevin, J.M, Sorzano, C.O.S, Munier, S, Carlero, D, Naffakh, N, Ortin, J, Martin-Benito, J. | Deposit date: | 2018-08-03 | Release date: | 2020-02-12 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (11 Å) | Cite: | Structural insights into influenza A virus ribonucleoproteins reveal a processive helical track as transcription mechanism. Nat Microbiol, 5, 2020
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5A8X
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![BU of 5a8x by Molmil](/molmil-images/mine/5a8x) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neutrophil elastase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | Deposit date: | 2015-07-17 | Release date: | 2016-08-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model. ChemMedChem, 11, 2016
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6YOA
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![BU of 6yoa by Molmil](/molmil-images/mine/6yoa) | Lig v 1 structure and the inflammatory response to the Ole e 1 protein family | Descriptor: | Major pollen allergen Lig v 1, NICKEL (II) ION | Authors: | Robledo-Retana, T, Bradley-Clark, J, Croll, T, Rose, R, Stagg, A, Villalba, M, Pickersgill, R. | Deposit date: | 2020-04-14 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Lig v 1 structure and the inflammatory response to the Ole e 1 protein family. Allergy, 75, 2020
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6H9Z
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![BU of 6h9z by Molmil](/molmil-images/mine/6h9z) | Molecular bases of histo-blood group antigen recognition by the most common human rotavirus | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Outer capsid protein VP4, SULFATE ION | Authors: | Ciges-Tomas, J.R, Gozalbo-Rovira, R, Vila-Vicent, S, Buesa, J, Santiso-Bellon, C, Monedero, V, Yebra, M.J, Rodriguez-Diaz, J, Marina, A. | Deposit date: | 2018-08-06 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens. Plos Pathog., 15, 2019
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6S02
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![BU of 6s02 by Molmil](/molmil-images/mine/6s02) | |
5A09
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![BU of 5a09 by Molmil](/molmil-images/mine/5a09) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ... | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | Deposit date: | 2015-04-17 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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5A6R
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![BU of 5a6r by Molmil](/molmil-images/mine/5a6r) | Crystal structure of the BTB domain of human KCTD17 | Descriptor: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD17 | Authors: | Pinkas, D.M, Sorrell, F, Sanvitale, C.E, Goubin, S, Williams, E, Newman, J.A, Pearce, N.M, Neshich, I, Pike, A.C.W, MacKenzie, A, Quigley, A, Faust, B, Carpenter, E.P, Tallant, C, Kopec, J, Chalk, R, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2015-06-30 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases. Biochem. J., 474, 2017
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5A78
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![BU of 5a78 by Molmil](/molmil-images/mine/5a78) | Crystal structure of the homing endonuclease I-CvuI in complex with I- CreI target (C1221) in the presence of 2 mM Mg revealing DNA not cleaved | Descriptor: | 24MER DNA, 5'-D(*TP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP *CP*GP*AP*CP*GP*TP*TP*TP*TP*GP*A)-3', DNA ENDONUCLEASE I-CVUI, ... | Authors: | Molina, R, Redondo, P, LopezMendez, B, Villate, M, Merino, N, Blanco, F.J, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G. | Deposit date: | 2015-07-03 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the Homing Endonuclease I-Cvui Provides a New Template for Genome Modification J.Biol.Chem., 290, 2015
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1JQM
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![BU of 1jqm by Molmil](/molmil-images/mine/1jqm) | Fitting of L11 protein and elongation factor G (EF-G) in the cryo-em map of e. coli 70S ribosome bound with EF-G, GDP and fusidic acid | Descriptor: | 50S Ribosomal protein L11, Elongation Factor G | Authors: | Agrawal, R.K, Linde, J, Segupta, J, Nierhaus, K.H, Frank, J. | Deposit date: | 2001-08-07 | Release date: | 2001-09-07 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (18 Å) | Cite: | Localization of L11 protein on the ribosome and elucidation of its involvement in EF-G-dependent translocation. J.Mol.Biol., 311, 2001
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6GM5
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![BU of 6gm5 by Molmil](/molmil-images/mine/6gm5) | [FeFe]-hydrogenase HydA1 from Chlamydomonas reinhardtii,variant E141A | Descriptor: | CHLORIDE ION, Fe-hydrogenase, IRON/SULFUR CLUSTER, ... | Authors: | Duan, J, Engelbrecht, V, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | Deposit date: | 2018-05-24 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases. Nat Commun, 9, 2018
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6GM7
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![BU of 6gm7 by Molmil](/molmil-images/mine/6gm7) | [FeFe]-hydrogenase HydA1 from Chlamydomonas reinhardtii,variant E144A | Descriptor: | CHLORIDE ION, Fe-hydrogenase, IRON/SULFUR CLUSTER | Authors: | Duan, J, Engelbrecht, V, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | Deposit date: | 2018-05-24 | Release date: | 2018-11-07 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases. Nat Commun, 9, 2018
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2DM5
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![BU of 2dm5 by Molmil](/molmil-images/mine/2dm5) | Thermodynamic Penalty Arising From Burial of a Ligand Polar Group Within a Hydrophobic Pocket of a Protein Receptor | Descriptor: | CADMIUM ION, Major Urinary Protein, OCTANE-1,8-DIOL | Authors: | Barratt, E, Bronowska, A, Vondrasek, J, Bingham, R, Phillips, S, Homans, S.W. | Deposit date: | 2006-04-20 | Release date: | 2006-10-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Thermodynamic penalty arising from burial of a ligand polar group within a hydrophobic pocket of a protein receptor J.Mol.Biol., 362, 2006
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5AEN
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![BU of 5aen by Molmil](/molmil-images/mine/5aen) | Structure of human Leukotriene A4 hydrolase in complex with inhibitor dimethyl(2- (4-phenoxyphenoxy)ethyl)amine | Descriptor: | IMIDAZOLE, LEUKOTRIENE A-4 HYDROLASE, N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine, ... | Authors: | Moser, D, Wittmann, S.K, Kramer, J, Blocher, R, Achenbach, J, Pogoryelov, D, Proschak, E. | Deposit date: | 2015-01-06 | Release date: | 2015-02-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.864 Å) | Cite: | Peng: A Neural Gas-Based Approach for Pharmacophore Elucidation. Method Design, Validation and Virtual Screening for Novel Ligands of Lta4H. J.Chem.Inf.Model., 55, 2015
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5V93
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![BU of 5v93 by Molmil](/molmil-images/mine/5v93) | Cryo-EM structure of the 70S ribosome from Mycobacterium tuberculosis bound with Capreomycin | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Yang, K, Chang, J.-Y, Cui, Z, Li, X, Meng, R, Duan, L, Thongchol, J, Jakana, J, Huwe, C, Sacchettini, J, Zhang, J. | Deposit date: | 2017-03-22 | Release date: | 2017-09-20 | Last modified: | 2020-08-12 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural insights into species-specific features of the ribosome from the human pathogen Mycobacterium tuberculosis. Nucleic Acids Res., 45, 2017
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6TK7
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![BU of 6tk7 by Molmil](/molmil-images/mine/6tk7) | Femtosecond to millisecond structural changes in a light-driven sodium pump: Dark structure in acidic conditions | Descriptor: | EICOSANE, RETINAL, Sodium pumping rhodopsin | Authors: | Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J. | Deposit date: | 2019-11-28 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Femtosecond-to-millisecond structural changes in a light-driven sodium pump. Nature, 583, 2020
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6QN7
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![BU of 6qn7 by Molmil](/molmil-images/mine/6qn7) | Structure of bovine anti-RSV hybrid Fab B4HC-B13LC | Descriptor: | Heavy chain of bovine anti-RSV B4, Light chain of bovine anti-RSV B13 | Authors: | Ren, J, Nettleship, J.E, Harris, G, Mwangi, W, Rhaman, N, Grant, C, Kotecha, A, Fry, E, Charleston, B, Stuart, D.I, Hammond, J, Owens, R.J. | Deposit date: | 2019-02-10 | Release date: | 2019-05-29 | Last modified: | 2019-08-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The role of the light chain in the structure and binding activity of two cattle antibodies that neutralize bovine respiratory syncytial virus. Mol.Immunol., 112, 2019
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6TRD
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![BU of 6trd by Molmil](/molmil-images/mine/6trd) | Cryo- EM structure of the Thermosynechococcus elongatus photosystem I in the presence of cytochrome c6 | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Koelsch, A, Radon, C, Baumert, A, Buerger, J, Mielke, T, Lisdat, F, Zouni, A, Wendler, P. | Deposit date: | 2019-12-18 | Release date: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Current limits of structural biology: The transient interaction between cytochrome c6 and photosystem I Curr.Opin.Struct.Biol., 2, 2020
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6IOZ
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![BU of 6ioz by Molmil](/molmil-images/mine/6ioz) | Structural insights of idursulfase beta | 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: | Kim, H, Kim, D, Hong, J, Lee, K, Seo, J, Oh, B.H. | Deposit date: | 2018-11-01 | Release date: | 2018-11-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural insights of idursulfase beta To Be Published
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5AC9
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![BU of 5ac9 by Molmil](/molmil-images/mine/5ac9) | Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus vaccine design | Descriptor: | VP1, VP2, VP3, ... | Authors: | Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, PerezMartin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I. | Deposit date: | 2015-08-14 | Release date: | 2015-09-23 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure-Based Energetics of Protein Interfaces Guide Foot-and-Mouth Disease Vaccine Design Nat.Struct.Mol.Biol., 22, 2015
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5AJC
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![BU of 5ajc by Molmil](/molmil-images/mine/5ajc) | X-ray structure of RSL lectin in complex with sialyl lewis X tetrasaccharide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose, PUTATIVE FUCOSE-BINDING LECTIN PROTEIN, ... | Authors: | Topin, J, Arnaud, J, Varrot, A, Imberty, A. | Deposit date: | 2015-02-20 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Hidden Conformation of Lewis X, a Human Histo-Blood Group Antigen, is a Determinant for Recognition by Pathogen Lectins Acs Chem.Biol., 11, 2016
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6I53
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![BU of 6i53 by Molmil](/molmil-images/mine/6i53) | Cryo-EM structure of the human synaptic alpha1-beta3-gamma2 GABAA receptor in complex with Megabody38 in a lipid nanodisc | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1, ... | Authors: | Laverty, D, Desai, R, Uchanski, T, Masiulis, S, Wojciech, J.S, Malinauskas, T, Zivanov, J, Pardon, E, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-11-12 | Release date: | 2019-01-02 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of the human alpha 1 beta 3 gamma 2 GABAAreceptor in a lipid bilayer. Nature, 565, 2019
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6TK5
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![BU of 6tk5 by Molmil](/molmil-images/mine/6tk5) | Femtosecond to millisecond structural changes in a light-driven sodium pump: 800fs+2ps structure of KR2 with extrapolated, light and dark datasets | Descriptor: | EICOSANE, RETINAL, Sodium pumping rhodopsin | Authors: | Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J. | Deposit date: | 2019-11-28 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Femtosecond-to-millisecond structural changes in a light-driven sodium pump. Nature, 583, 2020
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6TTF
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![BU of 6ttf by Molmil](/molmil-images/mine/6ttf) | PKM2 in complex with Compound 5 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 5-hydroxynaphthalene-1-sulfonamide, Pyruvate kinase PKM | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | Deposit date: | 2019-12-27 | Release date: | 2020-01-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25, 2020
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5A0A
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![BU of 5a0a by Molmil](/molmil-images/mine/5a0a) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile, ... | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | Deposit date: | 2015-04-17 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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