2XCR
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![BU of 2xcr by Molmil](/molmil-images/mine/2xcr) | The 3.5A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase complexed with GSK299423 and DNA | Descriptor: | 5'-D(*5UA*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3', 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3', 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE, ... | Authors: | Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | Deposit date: | 2010-04-25 | Release date: | 2010-08-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents. Nature, 466, 2010
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7ALH
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![BU of 7alh by Molmil](/molmil-images/mine/7alh) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.65A resolution (spacegroup C2). | Descriptor: | 3C-like proteinase | Authors: | Costanzi, E, Demitri, N, Giabbai, B, Heroux, A, Storici, P. | Deposit date: | 2020-10-06 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L. Int J Mol Sci, 22, 2021
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4XAT
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![BU of 4xat by Molmil](/molmil-images/mine/4xat) | Crystal structure of the olfactomedin domain from noelin/pancortin/olfactomedin-1 | Descriptor: | CALCIUM ION, GLYCEROL, Noelin, ... | Authors: | Hill, S.E, Nguyen, E, Lieberman, R.L. | Deposit date: | 2014-12-15 | Release date: | 2015-07-15 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | Molecular Details of Olfactomedin Domains Provide Pathway to Structure-Function Studies. Plos One, 10, 2015
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7AQ9
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![BU of 7aq9 by Molmil](/molmil-images/mine/7aq9) | Pseudomonas stutzeri nitrous oxide reductase mutant, H583W | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-10-20 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.585 Å) | Cite: | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
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7AQ2
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![BU of 7aq2 by Molmil](/molmil-images/mine/7aq2) | Pseudomonas stutzeri nitrous oxide reductase mutant, H583A | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-10-20 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.683 Å) | Cite: | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
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1WW3
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![BU of 1ww3 by Molmil](/molmil-images/mine/1ww3) | Crystallographic studies on two bioisosteric analogues, N-acetyl-beta-D-glucopyranosylamine and N-trifluoroacetyl-beta-D-glucopyranosylamine, potent inhibitors of muscle glycogen phosphorylase | Descriptor: | Glycogen phosphorylase, muscle form, N-(trifluoroacetyl)-beta-D-glucopyranosylamine, ... | Authors: | Anagnostou, E, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Hadjiloi, T, Tiraidis, C, Zographos, S.E, Gyorgydeak, Z, Somsak, L, Docsa, T, Gergely, P, Kolisis, F.N, Oikonomakos, N.G. | Deposit date: | 2004-12-31 | Release date: | 2005-12-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic studies on two bioisosteric analogues, N-acetyl-beta-d-glucopyranosylamine and N-trifluoroacetyl-beta-d-glucopyranosylamine, potent inhibitors of muscle glycogen phosphorylase Bioorg.Med.Chem., 14, 2006
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7SEP
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![BU of 7sep by Molmil](/molmil-images/mine/7sep) | |
6UTL
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![BU of 6utl by Molmil](/molmil-images/mine/6utl) | Yeast Thiol Specific antoxidant 2 with C171S mutation and catalytic cysteine alkylated with iodoacetamide | Descriptor: | Peroxiredoxin TSA2 | Authors: | Tairum, C.A, Bannitz-Fernandes, R, Tonoli, C.C.C, Murakami, M.T, de Oliveira, M.A, Netto, L.E.S. | Deposit date: | 2019-10-29 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Reduction of sulfenic acids by ascorbate in proteins, connecting thiol-dependent to alternative redox pathways. Free Radic Biol Med, 156, 2020
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5IY5
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![BU of 5iy5 by Molmil](/molmil-images/mine/5iy5) | Electron transfer complex of cytochrome c and cytochrome c oxidase at 2.0 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, S, Baba, J, Aoe, S, Shimada, A, Yamashita, E, Tsukihara, T. | Deposit date: | 2016-03-24 | Release date: | 2017-01-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Complex structure of cytochrome c-cytochrome c oxidase reveals a novel protein-protein interaction mode EMBO J., 36, 2017
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5JE1
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![BU of 5je1 by Molmil](/molmil-images/mine/5je1) | Crystal structure of Burkholderia glumae ToxA with bound S-adenosylhomocysteine (SAH) and toxoflavin | Descriptor: | 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione, Methyl transferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E. | Deposit date: | 2016-04-17 | Release date: | 2016-05-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis. Biochemistry, 55, 2016
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5FNQ
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![BU of 5fnq by Molmil](/molmil-images/mine/5fnq) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | 3-(4-CHLOROPHENYL)PROPANOIC ACID, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2015-11-16 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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6V11
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![BU of 6v11 by Molmil](/molmil-images/mine/6v11) | Lon Protease from Yersinia pestis | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease | Authors: | Shin, M, Puchades, C, Asmita, A, Puri, N, Adjei, E, Wiseman, R.L, Karzai, A.W, Lander, G.C. | Deposit date: | 2019-11-19 | Release date: | 2020-01-22 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis for distinct operational modes and protease activation in AAA+ protease Lon. Sci Adv, 6, 2020
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5JDY
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![BU of 5jdy by Molmil](/molmil-images/mine/5jdy) | Crystal structure of Burkholderia glumae ToxA Y7F mutant with bound S-adenosylhomocysteine (SAH) and toxoflavin | Descriptor: | 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Methyl transferase, ... | Authors: | Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E. | Deposit date: | 2016-04-17 | Release date: | 2016-05-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis. Biochemistry, 55, 2016
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1S1X
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![BU of 1s1x by Molmil](/molmil-images/mine/1s1x) | Crystal structure of V108I mutant HIV-1 reverse transcriptase in complex with nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, Reverse transcriptase | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2004-01-07 | Release date: | 2004-06-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors J.Mol.Biol., 336, 2004
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8CSJ
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![BU of 8csj by Molmil](/molmil-images/mine/8csj) | |
7Z0A
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![BU of 7z0a by Molmil](/molmil-images/mine/7z0a) | Crystal structure of the ground state of bacteriorhodopsin at 1.22 Angstrom resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin, EICOSANE, ... | Authors: | Borshchevskiy, V, Kovalev, K, Round, E, Efremov, R, Bourenkov, G, Gordeliy, V. | Deposit date: | 2022-02-22 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | True-atomic-resolution insights into the structure and functional role of linear chains and low-barrier hydrogen bonds in proteins. Nat.Struct.Mol.Biol., 29, 2022
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7Z09
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![BU of 7z09 by Molmil](/molmil-images/mine/7z09) | Crystal structure of the ground state of bacteriorhodopsin at 1.05 Angstrom resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin, EICOSANE, ... | Authors: | Borshchevskiy, V, Kovalev, K, Round, E, Efremov, R, Bourenkov, G, Gordeliy, V. | Deposit date: | 2022-02-22 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | True-atomic-resolution insights into the structure and functional role of linear chains and low-barrier hydrogen bonds in proteins. Nat.Struct.Mol.Biol., 29, 2022
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7Z0D
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![BU of 7z0d by Molmil](/molmil-images/mine/7z0d) | Crystal structure of the L state of bacteriorhodopsin at 1.20 Angstrom resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin, EICOSANE, ... | Authors: | Borshchevskiy, V, Kovalev, K, Round, E, Efremov, R, Bourenkov, G, Gordeliy, V. | Deposit date: | 2022-02-22 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | True-atomic-resolution insights into the structure and functional role of linear chains and low-barrier hydrogen bonds in proteins. Nat.Struct.Mol.Biol., 29, 2022
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5JHA
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![BU of 5jha by Molmil](/molmil-images/mine/5jha) | Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin2 | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol | Authors: | Burke, J.E, Inglis, A.J, Williams, R.L. | Deposit date: | 2016-04-20 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. Nat Commun, 8, 2017
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6EU1
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![BU of 6eu1 by Molmil](/molmil-images/mine/6eu1) | RNA Polymerase III - open DNA complex (OC-POL3). | Descriptor: | DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ... | Authors: | Abascal-Palacios, G, Ramsay, E.P, Beuron, F, Morris, E, Vannini, A. | Deposit date: | 2017-10-27 | Release date: | 2018-01-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of RNA polymerase III transcription initiation. Nature, 553, 2018
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5BWH
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![BU of 5bwh by Molmil](/molmil-images/mine/5bwh) | Structure of H200C variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with HPCA at 1.46 Ang resolution | Descriptor: | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kovaleva, E.G, Lipscomb, J.D. | Deposit date: | 2015-06-08 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | A Long-Lived Fe(III)-(Hydroperoxo) Intermediate in the Active H200C Variant of Homoprotocatechuate 2,3-Dioxygenase: Characterization by Mossbauer, Electron Paramagnetic Resonance, and Density Functional Theory Methods. Inorg.Chem., 54, 2015
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7Z1Z
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![BU of 7z1z by Molmil](/molmil-images/mine/7z1z) | MVV strand transfer complex (STC) intasome in complex with LEDGF/p75 at 3.5 A resolution | Descriptor: | DNA (37-MER), DNA (5'-D(*GP*CP*TP*GP*CP*GP*AP*GP*AP*TP*CP*CP*GP*CP*TP*CP*CP*GP*GP*TP*G)-3'), DNA (5'-D(P*TP*TP*GP*AP*TP*TP*AP*GP*GP*GP*TP*G)-3'), ... | Authors: | Pye, V.E, Ballandras-Colas, A, Cherepanov, P. | Deposit date: | 2022-02-25 | Release date: | 2022-05-11 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Multivalent interactions essential for lentiviral integrase function. Nat Commun, 13, 2022
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7Z0C
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![BU of 7z0c by Molmil](/molmil-images/mine/7z0c) | Crystal structure of the K state of bacteriorhodopsin at 1.53 Angstrom resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin, EICOSANE, ... | Authors: | Borshchevskiy, V, Kovalev, K, Round, E, Efremov, R, Bourenkov, G, Gordeliy, V. | Deposit date: | 2022-02-22 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | True-atomic-resolution insights into the structure and functional role of linear chains and low-barrier hydrogen bonds in proteins. Nat.Struct.Mol.Biol., 29, 2022
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5JJM
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![BU of 5jjm by Molmil](/molmil-images/mine/5jjm) | |
7NAV
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![BU of 7nav by Molmil](/molmil-images/mine/7nav) | Bacterial 30S ribosomal subunit assembly complex state D (Consensus refinement) | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S. | Deposit date: | 2021-01-25 | Release date: | 2021-12-08 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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