6THD
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![BU of 6thd by Molmil](/molmil-images/mine/6thd) | Multiple Genomic RNA-Coat Protein Contacts Play Vital Roles in the Assembly of Infectious Enterovirus-E | Descriptor: | Genome polyprotein, MYRISTIC ACID, SULFATE ION | Authors: | Chandler-Bostock, R, Mata, C.P, Bingham, R, Dykeman, E.J, Meng, B, Tuthill, T.J, Rowlands, D.J, Ranson, N.A, Twarock, R, Stockley, P.G. | Deposit date: | 2019-11-19 | Release date: | 2020-12-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.23 Å) | Cite: | Assembly of infectious enteroviruses depends on multiple, conserved genomic RNA-coat protein contacts. Plos Pathog., 16, 2020
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6TN9
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![BU of 6tn9 by Molmil](/molmil-images/mine/6tn9) | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 16 | Descriptor: | Dual specificity protein kinase TTK, [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone | Authors: | Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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6TND
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![BU of 6tnd by Molmil](/molmil-images/mine/6tnd) | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 79 | Descriptor: | BAY 1217389, Dual specificity protein kinase TTK | Authors: | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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6CPP
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![BU of 6cpp by Molmil](/molmil-images/mine/6cpp) | CRYSTAL STRUCTURES OF CYTOCHROME P450-CAM COMPLEXED WITH CAMPHANE, THIOCAMPHOR, AND ADAMANTANE: FACTORS CONTROLLING P450 SUBSTRATE HYDROXYLATION | Descriptor: | CAMPHANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Raag, R, Poulos, T.L. | Deposit date: | 1990-05-18 | Release date: | 1991-07-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of cytochrome P-450CAM complexed with camphane, thiocamphor, and adamantane: factors controlling P-450 substrate hydroxylation. Biochemistry, 30, 1991
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4ETA
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![BU of 4eta by Molmil](/molmil-images/mine/4eta) | Lysozyme, room temperature, 400 kGy dose | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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8PXS
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![BU of 8pxs by Molmil](/molmil-images/mine/8pxs) | Short RNA binding to peptide amyloids | Descriptor: | RNA (5'-R(P*GP*UP*CP*A)-3'), VAL-ALA-GLN-ALA-GLN-ILE-ASN-ILE | Authors: | Rout, S.K, Cadalbert, R, Schroder, N, Wiegand, T, Zehnder, J, Gampp, O, Guntert, P, Kringler, D, Kreutz, C, Knorlein, A, Hall, J, Greenwald, J, Riek, R. | Deposit date: | 2023-07-24 | Release date: | 2023-10-18 | Method: | SOLID-STATE NMR | Cite: | An Analysis of Nucleotide-Amyloid Interactions Reveals Selective Binding to Codon-Sized RNA. J.Am.Chem.Soc., 145, 2023
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5IXB
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![BU of 5ixb by Molmil](/molmil-images/mine/5ixb) | Structure of human Melanoma Inhibitory Activity (MIA) Protein in complex with Pyrimidin-2-amine | Descriptor: | ACETATE ION, Melanoma-derived growth regulatory protein, PYRIMIDIN-2-AMINE | Authors: | Yip, K.T, Gasper, R, Zhong, X.Y, Seibel, N, Puetz, S, Autzen, J, Scherkenbeck, J, Hofmann, E, Stoll, R. | Deposit date: | 2016-03-23 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Small Molecules Antagonise the MIA-Fibronectin Interaction in Malignant Melanoma. Sci Rep, 6, 2016
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6TNB
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![BU of 6tnb by Molmil](/molmil-images/mine/6tnb) | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41 | Descriptor: | (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK | Authors: | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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1GXH
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![BU of 1gxh by Molmil](/molmil-images/mine/1gxh) | Colicin E8 DNAse immunity protein: Im8 | Descriptor: | COLICIN E8 IMMUNITY PROTEIN | Authors: | Leduff, C.S, Videler, H, Boetzel, R, Czisch, M, James, R, Kleanthous, C, Moore, G.R. | Deposit date: | 2002-04-05 | Release date: | 2002-05-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Non-Cognate Protein-Protein Interaction: The NMR Structure of the Colicin E8 Inhibitor Protein Im8 and its Interaction with the DNase Domain of Colicin E9 To be Published
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8B7S
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![BU of 8b7s by Molmil](/molmil-images/mine/8b7s) | Crystal structure of the Chloramphenicol-inactivating oxidoreductase from Novosphingobium sp | Descriptor: | Chloramphenicol-inactivating oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Zhang, L, Toplak, M, Saleem-Batcha, R, Hoeing, L, Jakob, R.P, Jehmlich, N, von Bergen, M, Maier, T, Teufel, R. | Deposit date: | 2022-10-03 | Release date: | 2022-11-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bacterial Dehydrogenases Facilitate Oxidative Inactivation and Bioremediation of Chloramphenicol. Chembiochem, 24, 2023
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1H3Y
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![BU of 1h3y by Molmil](/molmil-images/mine/1h3y) | Crystal structure of a human IgG1 Fc-fragment,high salt condition | Descriptor: | IG GAMMA-1 CHAIN C REGION, alpha-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P. | Deposit date: | 2002-09-19 | Release date: | 2003-01-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity. J.Mol.Biol., 325, 2003
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8QQO
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![BU of 8qqo by Molmil](/molmil-images/mine/8qqo) | |
6CJJ
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![BU of 6cjj by Molmil](/molmil-images/mine/6cjj) | Candida albicans Hsp90 nucleotide binding domain in complex with ADP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 90 homolog, ... | Authors: | Hutchinson, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, STRUCTURAL GENOMICS CONSORTIUM, S.G.C, Pizarro, J.C, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-26 | Release date: | 2019-01-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus. Nat Commun, 10, 2019
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6NPS
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![BU of 6nps by Molmil](/molmil-images/mine/6nps) | Crystal structure of GH115 enzyme AxyAgu115A from Amphibacillus xylanus | Descriptor: | AxyAgu115A, CHLORIDE ION, GLYCEROL | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Yan, R, Master, E, Savchenko, A. | Deposit date: | 2019-01-18 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural characterization of the family GH115 alpha-glucuronidase from Amphibacillus xylanus yields insight into its coordinated action with alpha-arabinofuranosidases. N Biotechnol, 2021
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6NIM
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![BU of 6nim by Molmil](/molmil-images/mine/6nim) | Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine | Descriptor: | Bromodomain factor 2 protein, Bromosporine, SULFATE ION, ... | Authors: | Lin, Y.H, Dong, A, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-29 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine to be published
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1GSS
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![BU of 1gss by Molmil](/molmil-images/mine/1gss) | THREE-DIMENSIONAL STRUCTURE OF CLASS PI GLUTATHIONE S-TRANSFERASE FROM HUMAN PLACENTA IN COMPLEX WITH S-HEXYLGLUTATHIONE AT 2.8 ANGSTROMS RESOLUTION | Descriptor: | GLUTATHIONE S-TRANSFERASE, L-gamma-glutamyl-S-hexyl-L-cysteinylglycine | Authors: | Reinemer, P, Dirr, H.W, Ladenstein, R, Lobello, M, Federici, G, Huber, R, Parker, M.W. | Deposit date: | 1992-05-28 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Three-dimensional structure of class pi glutathione S-transferase from human placenta in complex with S-hexylglutathione at 2.8 A resolution. J.Mol.Biol., 227, 1992
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6TUB
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![BU of 6tub by Molmil](/molmil-images/mine/6tub) | Beta-endorphin amyloid fibril | Descriptor: | Beta-endorphin | Authors: | Verasdonck, J, Seuring, C, Gath, J, Ghosh, D, Nespovitaya, N, Waelti, M.A, Maji, S, Cadalbert, R, Boeckmann, A, Guentert, P, Meier, B.H, Riek, R. | Deposit date: | 2020-01-05 | Release date: | 2020-10-28 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | The three-dimensional structure of human beta-endorphin amyloid fibrils. Nat.Struct.Mol.Biol., 27, 2020
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8SCD
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![BU of 8scd by Molmil](/molmil-images/mine/8scd) | Crystal structure of sulfonamide resistance enzyme Sul3 in complex with reaction intermediate | Descriptor: | 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, 4-AMINOBENZOIC ACID, CHLORIDE ION, ... | Authors: | Stogios, P.J, Venkatesan, M, Michalska, K, Mesa, N, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2023-04-05 | Release date: | 2023-05-03 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics. Nat Commun, 14, 2023
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1GXG
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![BU of 1gxg by Molmil](/molmil-images/mine/1gxg) | Non-cognate protein-protein interactions: the NMR structure of the colicin E8 inhibitor protein Im8 and its interaction with the DNase domain of colicin E9 | Descriptor: | COLICIN E8 IMMUNITY PROTEIN | Authors: | Le Duff, C.S, Videler, H, Boetzel, R, Czisch, M, James, R, Kleanthous, C, Moore, G.R. | Deposit date: | 2002-04-04 | Release date: | 2002-05-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Non-Cognate Protein-Protein Interaction: The NMR Structure of the Colicin E8 Inhibitor Protein Im8 and its Interaction with the DNase Domain of Colicin E9 To be Published
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6TRW
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![BU of 6trw by Molmil](/molmil-images/mine/6trw) | |
5ANQ
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![BU of 5anq by Molmil](/molmil-images/mine/5anq) | inhibitors of JumonjiC domain-containing histone demethylases | Descriptor: | 2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid, CHLORIDE ION, FE (II) ION, ... | Authors: | Roatsch, M, Robaa, D, Pippel, M, Nettleship, J.E, Reddivari, Y, Bird, L.E, Hoffmann, I, Franz, H, Owens, R.J, Schuele, R, Flaig, R, Sippl, W, Jung, M. | Deposit date: | 2015-09-07 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substituted 2-(2-Aminopyrimidin-4-Yl)Pyridine-4-Carboxylates as Potent Inhibitors of Jumonjic Domain-Containing Histone Demethylases. Fut.Med.Chem., 8, 2016
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5HO3
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![BU of 5ho3 by Molmil](/molmil-images/mine/5ho3) | MamB | Descriptor: | Magnetosome protein MamB | Authors: | Zeytuni, N, Keren, N, Davidov, G, Zarivach, R. | Deposit date: | 2016-01-19 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The dual role of MamB in magnetosome membrane assembly and magnetite biomineralization. Mol. Microbiol., 107, 2018
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1H3V
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![BU of 1h3v by Molmil](/molmil-images/mine/1h3v) | CRYSTAL STRUCTURE OF THE HUMAN IGG1 FC-FRAGMENT,GLYCOFORM (G2F)2,SG P212121 | Descriptor: | IG GAMMA-1 CHAIN C REGION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Krapp, S, Mimura, Y, Jefferis, R, Huber, R, Sondermann, P. | Deposit date: | 2002-09-19 | Release date: | 2003-01-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Analysis of Human Igg-Fc Glycoforms Reveals a Correlation between Glycosylation and Structural Integrity J.Mol.Biol., 325, 2003
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8S99
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![BU of 8s99 by Molmil](/molmil-images/mine/8s99) | Crystal structure of the TYK2 pseudokinase domain in complex with compound 11 | Descriptor: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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1H83
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![BU of 1h83 by Molmil](/molmil-images/mine/1h83) | STRUCTURE OF POLYAMINE OXIDASE IN COMPLEX WITH 1,8-DIAMINOOCTANE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, OCTANE 1,8-DIAMINE, ... | Authors: | Binda, C, Coda, A, Angelini, R, Federico, R, Ascenzi, P, Mattevi, A. | Deposit date: | 2001-01-24 | Release date: | 2001-01-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Bases for Inhibitor Binding and Catalysis in Polyamine Oxidase Biochemistry, 40, 2001
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