6HIY
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![BU of 6hiy by Molmil](/molmil-images/mine/6hiy) | Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the body of the small mitoribosomal subunit in complex with mt-IF-3 | Descriptor: | 9S rRNA, MAGNESIUM ION, SPERMIDINE, ... | Authors: | Ramrath, D.J.F, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, E.K, Leitner, A, Boehringer, D, Schneider, A, Ban, N. | Deposit date: | 2018-08-31 | Release date: | 2018-09-26 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes. Science, 362, 2018
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1AFS
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![BU of 1afs by Molmil](/molmil-images/mine/1afs) | RECOMBINANT RAT LIVER 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE (3-ALPHA-HSD) COMPLEXED WITH NADP AND TESTOSTERONE | Descriptor: | 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TESTOSTERONE | Authors: | Bennett, M.J, Albert, R.H, Jez, J.M, Ma, H, Penning, T.M, Lewis, M. | Deposit date: | 1997-03-13 | Release date: | 1997-10-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Steroid recognition and regulation of hormone action: crystal structure of testosterone and NADP+ bound to 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase. Structure, 5, 1997
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3MGY
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![BU of 3mgy by Molmil](/molmil-images/mine/3mgy) | Mutagenesis of p38 MAP Kinase eshtablishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | Deposit date: | 2010-04-07 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state. Biochemistry, 46, 2007
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6Z4E
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![BU of 6z4e by Molmil](/molmil-images/mine/6z4e) | The structure of the C-terminal domain of RssB from E. coli | Descriptor: | Regulator of RpoS | Authors: | Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D. | Deposit date: | 2020-05-25 | Release date: | 2020-07-29 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP. Biomolecules, 10, 2020
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5CGD
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![BU of 5cgd by Molmil](/molmil-images/mine/5cgd) | Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile - (HTL14242) | Descriptor: | 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, OLEIC ACID | Authors: | Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M. | Deposit date: | 2015-07-09 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile). J.Med.Chem., 58, 2015
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5MLM
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![BU of 5mlm by Molmil](/molmil-images/mine/5mlm) | Plantago Major multifunctional oxidoreductase V150M mutant in complex with progesterone and NADP+ | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, Progesterone 5-beta-reductase | Authors: | Fellows, R, Russo, C.M, Lee, S.G, Jez, J.M, Chisholm, J.D, Zubieta, C, Nanao, M. | Deposit date: | 2016-12-07 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.563 Å) | Cite: | A multisubstrate reductase from Plantago major: structure-function in the short chain reductase superfamily. Sci Rep, 8, 2018
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1X7X
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![BU of 1x7x by Molmil](/molmil-images/mine/1x7x) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | Authors: | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2004-08-16 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
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8GPM
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![BU of 8gpm by Molmil](/molmil-images/mine/8gpm) | Acinetobacter baumannii carbonic anhydrase | Descriptor: | CALCIUM ION, Carbonic anhydrase, GLYCEROL, ... | Authors: | Wen, Y, Jiao, M. | Deposit date: | 2022-08-26 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Acinetobacter baumannii carbonic anhydrase Structure, 2023
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5CD8
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![BU of 5cd8 by Molmil](/molmil-images/mine/5cd8) | Crystal structure of the NTD of Drosophila Oskar protein | Descriptor: | GLYCEROL, Maternal effect protein oskar | Authors: | Yang, N, Hu, M, Yu, Z, Wang, M, Lehmann, R, Xu, R.M. | Deposit date: | 2015-07-03 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | Structure of Drosophila Oskar reveals a novel RNA binding protein Proc.Natl.Acad.Sci.USA, 112, 2015
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7ZPF
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![BU of 7zpf by Molmil](/molmil-images/mine/7zpf) | Three-dimensional structure of AIP56, a short-trip single chain AB toxin from Photobacterium damselae subsp. piscicida. | Descriptor: | Aip56, GLYCEROL, NICKEL (II) ION, ... | Authors: | Lisboa, J, Pereira, P.J.B, dos Santos, N.M.S. | Deposit date: | 2022-04-27 | Release date: | 2023-05-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Unconventional structure and mechanisms for membrane interaction and translocation of the NF-kappa B-targeting toxin AIP56. Nat Commun, 14, 2023
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8A1N
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![BU of 8a1n by Molmil](/molmil-images/mine/8a1n) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with fumaryl amide analogue 13 | Descriptor: | (Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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5CGC
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![BU of 5cgc by Molmil](/molmil-images/mine/5cgc) | Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, ... | Authors: | Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M. | Deposit date: | 2015-07-09 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile). J.Med.Chem., 58, 2015
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6HYY
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![BU of 6hyy by Molmil](/molmil-images/mine/6hyy) | Human phosphoserine phosphatase with serine and phosphate | Descriptor: | CALCIUM ION, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Wouters, J, Haufroid, M, Mirgaux, M. | Deposit date: | 2018-10-22 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.566 Å) | Cite: | Crystal structures and snapshots along the reaction pathway of human phosphoserine phosphatase. Acta Crystallogr D Struct Biol, 75, 2019
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8A1M
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![BU of 8a1m by Molmil](/molmil-images/mine/8a1m) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with maleimide analogue 4 | Descriptor: | 1,2-ETHANEDIOL, 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione, CHLORIDE ION, ... | Authors: | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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8A1K
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![BU of 8a1k by Molmil](/molmil-images/mine/8a1k) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with ebsulfur analogue 15 | Descriptor: | 1,2-ETHANEDIOL, 4,5-bis(chloranyl)-N-(2-hydroxyethyl)-2-sulfanyl-benzamide, DIMETHYL SULFOXIDE, ... | Authors: | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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1XIM
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![BU of 1xim by Molmil](/molmil-images/mine/1xim) | ARGININE RESIDUES AS STABILIZING ELEMENTS IN PROTEINS | Descriptor: | COBALT (II) ION, D-XYLOSE ISOMERASE, Xylitol | Authors: | Mrabet, N.T, Van Denbroek, A, Van Den Brande, I, Stanssens, P, Laroche, Y, Lambeir, A.-M, Matthyssens, G, Jenkins, J, Chiadmi, M, Vantilbeurgh, H, Rey, F, Janin, J, Quax, W.J, Lasters, I, Demaeyer, M, Wodak, S.J. | Deposit date: | 1991-05-29 | Release date: | 1993-04-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Arginine residues as stabilizing elements in proteins. Biochemistry, 31, 1992
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1SY9
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![BU of 1sy9 by Molmil](/molmil-images/mine/1sy9) | Structure of calmodulin complexed with a fragment of the olfactory CNG channel | Descriptor: | CALCIUM ION, CALMODULIN, Cyclic-nucleotide-gated olfactory channel | Authors: | Contessa, G.M, Orsale, M, Melino, S, Torre, V, Paci, M, Desideri, A, Cicero, D.O. | Deposit date: | 2004-04-01 | Release date: | 2005-04-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of calmodulin complexed with an olfactory CNG channel fragment and role of the central linker: residual dipolar couplings to evaluate calmodulin binding modes outside the kinase family. J.Biomol.Nmr, 31, 2005
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6HRE
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![BU of 6hre by Molmil](/molmil-images/mine/6hre) | Paired helical filament from sporadic Alzheimer's disease brain | Descriptor: | Microtubule-associated protein tau | Authors: | Falcon, B, Zhang, W, Schweighauser, M, Murzin, A.G, Vidal, R, Garringer, H.J, Ghetti, B, Scheres, S.H.W, Goedert, M. | Deposit date: | 2018-09-26 | Release date: | 2018-10-10 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Tau filaments from multiple cases of sporadic and inherited Alzheimer's disease adopt a common fold. Acta Neuropathol., 136, 2018
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8A1O
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![BU of 8a1o by Molmil](/molmil-images/mine/8a1o) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with acrylamide analogue 8 | Descriptor: | (E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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3MRL
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![BU of 3mrl by Molmil](/molmil-images/mine/3mrl) | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide C6V variant | Descriptor: | 9-meric peptide from Serine protease/NTPase/helicase NS3, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Reiser, J.-B, Chouquet, A, Le Gorrec, M, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | Deposit date: | 2010-04-29 | Release date: | 2011-05-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Analysis of Relationships between Peptide/MHC Structural Features and Naive T Cell Frequency in Humans. J.Immunol., 193, 2014
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6AQJ
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![BU of 6aqj by Molmil](/molmil-images/mine/6aqj) | Crystal structures of Staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Ketol-acid reductoisomerase (NADP(+)), ... | Authors: | Patel, K.M, Teran, D, Zheng, S, Gracia, M, Lv, Y, Schembri, M.A, McGeary, R.P, Schenk, G, Guddat, L.W. | Deposit date: | 2017-08-20 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.373 Å) | Cite: | Crystal Structures of Staphylococcus aureus Ketol-Acid Reductoisomerase in Complex with Two Transition State Analogues that Have Biocidal Activity. Chemistry, 23, 2017
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6TNN
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![BU of 6tnn by Molmil](/molmil-images/mine/6tnn) | Mini-RNase III (Mini-III) bound to 50S ribosome with precursor 23S rRNA | Descriptor: | 50S ribosomal protein L10, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Oerum, S, Dendooven, T, Gilet, L, Catala, M, Degut, C, Trinquier, A, Barraud, P, Luisi, B, Condon, C, Tisne, C. | Deposit date: | 2019-12-09 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Structures of B. subtilis Maturation RNases Captured on 50S Ribosome with Pre-rRNAs. Mol.Cell, 80, 2020
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8A1L
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![BU of 8a1l by Molmil](/molmil-images/mine/8a1l) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with alpha-chloro ketone 2 | Descriptor: | (phenylmethyl) N-[(3S,4S)-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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8A1J
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![BU of 8a1j by Molmil](/molmil-images/mine/8a1j) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with maleimide analogue 3 | Descriptor: | 1,2-ETHANEDIOL, 1-phenylpyrrolidine-2,5-dione, DIMETHYL SULFOXIDE, ... | Authors: | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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8A23
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![BU of 8a23 by Molmil](/molmil-images/mine/8a23) | Crystal structure of SARS-CoV-2 nsp10/nsp16 methyltransferase in complex with TO383 | Descriptor: | (2R,3R,4S,5R)-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol, 2'-O-methyltransferase nsp16, GLYCEROL, ... | Authors: | Hanigovsky, M, Krafcikova, P, Klima, M, Boura, E. | Deposit date: | 2022-06-02 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of SARS-CoV-2 nsp10/nsp16 methyltransferase in
complex with TO383 To Be Published
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