6WB5
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![BU of 6wb5 by Molmil](/molmil-images/mine/6wb5) | Microbiome-derived Acarbose Kinase Mak1 as a Complex with Acarbose and AMP-PNP | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose Kinase Mak1, MANGANESE (II) ION, ... | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | Deposit date: | 2020-03-26 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose. Nature, 600, 2021
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6WB7
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![BU of 6wb7 by Molmil](/molmil-images/mine/6wb7) | Acarbose Kinase AcbK as a Complex with Acarbose and AMP-PNP | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose 7(IV)-phosphotransferase, MANGANESE (II) ION, ... | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | Deposit date: | 2020-03-26 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose. Nature, 600, 2021
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7AU5
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![BU of 7au5 by Molmil](/molmil-images/mine/7au5) | Tubulin-noscapine-analogue-14e complex | Descriptor: | (5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yong, C, Devine, S.M, Abel, A.-C, Muthiah, D, Gao, X, Callaghan, R, Capuano, B, Steinmetz, M.O, Prota, A.E, Scammels, P.J. | Deposit date: | 2020-11-02 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 1,3-Benzodioxole-Modified Noscapine Analogues: Synthesis, Antiproliferative Activity, and Tubulin-Bound Structure. Chemmedchem, 16, 2021
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7BM6
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![BU of 7bm6 by Molmil](/molmil-images/mine/7bm6) | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT | Descriptor: | 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-D-mannopyranuronic acid, Alginate lyase, family PL17, ... | Authors: | Czjzek, M, Roret, T, Jouanneau, D, Le Duff, N, Jeudy, A. | Deposit date: | 2021-01-19 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT. Glycobiology, 31, 2021
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8FY1
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![BU of 8fy1 by Molmil](/molmil-images/mine/8fy1) | E3:PROTAC:target ternary complex structure (VCB/753b/BCL-2) | Descriptor: | Apoptosis regulator Bcl-2, Elongin-B, Elongin-C, ... | Authors: | Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D, Olsen, S.K. | Deposit date: | 2023-01-25 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL. Nat Commun, 15, 2024
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6QH4
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![BU of 6qh4 by Molmil](/molmil-images/mine/6qh4) | Crystal structure of human Methylmalonyl-CoA epimerase (MCEE) p.Arg143Cys variant | Descriptor: | COBALT (II) ION, Methylmalonyl-CoA epimerase, mitochondrial | Authors: | Bailey, H.J, Chaikuid, A, Krysztofinska, E, Froese, D.S, Sorrell, F.J, Diaz-Saez, L, Kennedy, E, Edwards, A.M, Bountra, C, Yue, W.W. | Deposit date: | 2019-01-15 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.922 Å) | Cite: | Crystal structure of human Methylmalonyl-CoA epimerase (MCEE) p.Arg143Cys variant To Be Published
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6XM0
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![BU of 6xm0 by Molmil](/molmil-images/mine/6xm0) | Consensus structure of SARS-CoV-2 spike at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | Deposit date: | 2020-06-29 | Release date: | 2020-08-12 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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7S7K
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![BU of 7s7k by Molmil](/molmil-images/mine/7s7k) | Crystal structure of the EphB2 extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-B receptor 2, ... | Authors: | Xu, Y, Xu, K, Nikolov, D.B. | Deposit date: | 2021-09-16 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | The Ephb2 Receptor Uses Homotypic, Head-to-Tail Interactions within Its Ectodomain as an Autoinhibitory Control Mechanism. Int J Mol Sci, 22, 2021
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6XKL
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![BU of 6xkl by Molmil](/molmil-images/mine/6xkl) | SARS-CoV-2 HexaPro S One RBD up | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Wrapp, D, Hsieh, C.-L, Goldsmith, J.A, McLellan, J.S. | Deposit date: | 2020-06-26 | Release date: | 2020-07-15 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Structure-based design of prefusion-stabilized SARS-CoV-2 spikes. Science, 369, 2020
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7BDE
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![BU of 7bde by Molmil](/molmil-images/mine/7bde) | HUMAN BCL6 BTB-DOMAIN IN COMPLEX WITH GSK137 | Descriptor: | 5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Somers, D.O. | Deposit date: | 2020-12-21 | Release date: | 2021-07-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.044 Å) | Cite: | GSK137, a potent small-molecule BCL6 inhibitor with in vivo activity, suppresses antibody responses in mice. J.Biol.Chem., 297, 2021
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8TC7
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![BU of 8tc7 by Molmil](/molmil-images/mine/8tc7) | Human asparaginyl-tRNA synthetase, apo form | Descriptor: | Asparagine--tRNA ligase, cytoplasmic, CHLORIDE ION, ... | Authors: | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | Deposit date: | 2023-06-30 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun, 15, 2024
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6O1X
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![BU of 6o1x by Molmil](/molmil-images/mine/6o1x) | Structure of pCW3 conjugation coupling protein TcpA monomer form with ATPgS | Descriptor: | DNA translocase coupling protein, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, beta-D-glucopyranose | Authors: | Traore, D.A.K, Ahktar, N, Torres, V.T, Adams, V, Coulibaly, F, Panjikar, S, Caradoc-Davies, T.T, Rood, J.I, Whisstock, J.C. | Deposit date: | 2019-02-22 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structure of pCW3 conjugation coupling protein TcpA To be published
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7OXA
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![BU of 7oxa by Molmil](/molmil-images/mine/7oxa) | Target-bound SpCas9 complex with AAVS1 chimeric RNA-DNA guide | Descriptor: | AAVS1 non-target DNA strand, AAVS1 target DNA strand, CRISPR-associated endonuclease Cas9/Csn1, ... | Authors: | Donohoue, P, Pacesa, M, Lau, E, Vidal, B, Irby, M.J, Nyer, D.B, Rotstein, T, Banh, L, Toh, M.T, Gibson, J, Kohrs, B, Baek, K, Owen, A.L.G, Slorach, E.M, van Overbeek, M, Fuller, C.K, May, A.P, Jinek, M, Cameron, P. | Deposit date: | 2021-06-22 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells. Mol.Cell, 81, 2021
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8TTZ
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![BU of 8ttz by Molmil](/molmil-images/mine/8ttz) | Crystal structure of monkey TLR7 ectodomain with compound 20 | Descriptor: | (3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Critton, D.A. | Deposit date: | 2023-08-15 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology. Acs Med.Chem.Lett., 15, 2024
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8TC8
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![BU of 8tc8 by Molmil](/molmil-images/mine/8tc8) | Human asparaginyl-tRNA synthetase bound to adenosine 5'-sulfamate | Descriptor: | 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE, Asparagine--tRNA ligase, cytoplasmic, ... | Authors: | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | Deposit date: | 2023-06-30 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun, 15, 2024
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6NZ8
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![BU of 6nz8 by Molmil](/molmil-images/mine/6nz8) | Structure of carbamylated apo OXA-231 carbapenemase | Descriptor: | Beta-lactamase OXA-231, CHLORIDE ION, SODIUM ION | Authors: | Favaro, D.C, Llontop, E.E, Vasconcelos, F.N, Antunes, V.U, Farah, S.C, Lincopan, N. | Deposit date: | 2019-02-13 | Release date: | 2020-02-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Importance of the beta 5-beta 6 Loop for the Structure, Catalytic Efficiency, and Stability of Carbapenem-Hydrolyzing Class D beta-Lactamase Subfamily OXA-143. Biochemistry, 58, 2019
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6QGA
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![BU of 6qga by Molmil](/molmil-images/mine/6qga) | Crystal structure of Ideonella sakaiensis MHETase bound to the non-hydrolyzable ligand MHETA | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-hydroxyethylcarbamoyl)benzoic acid, CALCIUM ION, ... | Authors: | Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G. | Deposit date: | 2019-01-10 | Release date: | 2019-04-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate. Nat Commun, 10, 2019
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7BCZ
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![BU of 7bcz by Molmil](/molmil-images/mine/7bcz) | Structure of the 4'-phosphopantetheinyl transferase PcpS from Pseudomonas aeruginosa | Descriptor: | 4'-phosphopantetheinyl transferase EntD, COENZYME A, MAGNESIUM ION, ... | Authors: | Carivenc, C, Mourey, L, Pedelacq, J.D. | Deposit date: | 2020-12-21 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds. Sci Rep, 11, 2021
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8E1F
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![BU of 8e1f by Molmil](/molmil-images/mine/8e1f) | Sterile Alpha Motif Domain of Human Translocation ETS Leukemia, Non-Polymer Crystal Form | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ... | Authors: | Wilson, E, Nawarathnage, S, Stewart, C, Brown, S, Bezzant, B, Bunn, D, Towne, N, Pedroza Romo, M.J, Moody, J.D. | Deposit date: | 2022-08-10 | Release date: | 2022-09-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Sterile Alpha Motif Domain of Human Translocation ETS Leukemia, Non-Polymer Crystal Form To Be Published
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6QGL
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![BU of 6qgl by Molmil](/molmil-images/mine/6qgl) | Crystal structure of VP5 from Haloarchaeal pleomorphic virus 6 | Descriptor: | BROMIDE ION, VP5 | Authors: | El Omari, K, Walter, T.S, Harlos, K, Grimes, J.M, Stuart, D.I, Roine, E. | Deposit date: | 2019-01-11 | Release date: | 2019-02-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | The structure of a prokaryotic viral envelope protein expands the landscape of membrane fusion proteins. Nat Commun, 10, 2019
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6Y78
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![BU of 6y78 by Molmil](/molmil-images/mine/6y78) | Structure of galectin-3C in complex with lactose determined by serial crystallography using a silicon nitride membrane support | Descriptor: | Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Hakansson, M, Welin, M, Shilova, A, Kovacic, R, Mueller, U, Logan, D.T. | Deposit date: | 2020-02-28 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Current status and future opportunities for serial crystallography at MAX IV Laboratory. J.Synchrotron Radiat., 27, 2020
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6QLG
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![BU of 6qlg by Molmil](/molmil-images/mine/6qlg) | Crystal structure of AnUbiX (PadA1) in complex with FMN and dimethylallyl pyrophosphate | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYLALLYL DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, ... | Authors: | Marshall, S.A, Payne, K.A.P, Leys, D. | Deposit date: | 2019-02-01 | Release date: | 2019-06-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry. Nat Commun, 10, 2019
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7BAI
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![BU of 7bai by Molmil](/molmil-images/mine/7bai) | |
8QRF
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![BU of 8qrf by Molmil](/molmil-images/mine/8qrf) | SARS-CoV-2 delta RBD complexed with XBB-6 and beta-49 Fabs | Descriptor: | Beta-49 heavy chain, Beta-49 light chain, Spike protein S1, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2023-10-06 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity. Cell Rep Med, 5, 2024
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6O97
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![BU of 6o97 by Molmil](/molmil-images/mine/6o97) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with propylamycin and bound to mRNA and A-, P-, and E-site tRNAs at 2.75A resolution | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | Authors: | Matsushita, T, Sati, G.C, Kondasinghe, N, Pirrone, M.G, Kato, T, Waduge, P, Kumar, H.S, Sanchon, A.C, Dobosz-Bartoszek, M, Shcherbakov, D, Juhas, M, Hobbie, S.N, Schrepfer, T, Chow, C.S, Polikanov, Y.S, Schacht, J, Vasella, A, Bottger, E.C, Crich, D. | Deposit date: | 2019-03-13 | Release date: | 2019-04-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Design, Multigram Synthesis, and in Vitro and in Vivo Evaluation of Propylamycin: A Semisynthetic 4,5-Deoxystreptamine Class Aminoglycoside for the Treatment of Drug-Resistant Enterobacteriaceae and Other Gram-Negative Pathogens. J. Am. Chem. Soc., 141, 2019
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