5QD4
 
 | | Crystal structure of BACE complex with BMC023 | | Descriptor: | Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER | | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-12-01 | | Release date: | 2020-06-03 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2.112 Å) | | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
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8IWH
 | | Structure and characteristics of a photosystem II supercomplex containing monomeric LHCX and dimeric FCPII antennae from the diatom Thalassiosira pseudonana | | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, ... | | Authors: | Feng, Y, Li, Z.H, Wang, W.D, Shen, J.R. | | Deposit date: | 2023-03-30 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Structure of a diatom photosystem II supercomplex containing a member of Lhcx family and dimeric FCPII.
Sci Adv, 9, 2023
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8J5K
 | | Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana | | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, ... | | Authors: | Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D. | | Deposit date: | 2023-04-23 | | Release date: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana.
Nat Commun, 14, 2023
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5NG1
 | | TUBULIN-MTC-zampanolide complex | | Descriptor: | (2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide, (2~{Z},4~{E})-~{N}-[(~{S})-oxidanyl-[(1~{S},2~{E},5~{S},11~{R},17~{S},19~{R})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Field, J.J, Pera, B, Estevez Gallego, J, Calvo, E, Rodriguez-Salarichs, J, Saez-Calvo, G, Zuwerra, D, Jordi, M, Prota, A.E, Menchon, G, Miller, J.H, Altmann, K.-H, Diaz, J.F. | | Deposit date: | 2017-03-16 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Zampanolide Binding to Tubulin Indicates Cross-Talk of Taxane Site with Colchicine and Nucleotide Sites.
J. Nat. Prod., 81, 2018
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7BGI
 | | Photosystem I of a temperature sensitive mutant Chlamydomonas reinhardtii | | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ... | | Authors: | Caspy, I, Nelson, N. | | Deposit date: | 2021-01-07 | | Release date: | 2021-12-08 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (2.54 Å) | | Cite: | Dimeric and high-resolution structures of Chlamydomonas Photosystem I from a temperature-sensitive Photosystem II mutant
Commun Biol, 4, 2021
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7BLX
 | | Photosystem I of a temperature sensitive mutant Chlamydomonas reinhardtii | | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ... | | Authors: | Caspy, I, Nelson, N. | | Deposit date: | 2021-01-19 | | Release date: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Dimeric and high-resolution structures of Chlamydomonas Photosystem I from a temperature-sensitive Photosystem II mutant
Commun Biol, 4, 2021
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5RG2
 | | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025058 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide | | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-18 | | Release date: | 2020-04-15 | | Last modified: | 2021-02-24 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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7YMI
 | | PSII-Pcb Dimer of Acaryochloris Marina | | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | Authors: | Shen, L.L, Gao, Y.Z, Wang, W.D, Zhang, X, Shen, J.R, Wang, P.Y, Han, G.Y. | | Deposit date: | 2022-07-28 | | Release date: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of a large photosystem II supercomplex from Acaryochloris marina.
To Be Published
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5SYS
 | | c-Src V281C bound to N-[3-({6-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide inhibitor | | Descriptor: | N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Dieter, E.M, Merritt, E.A, Maly, D.J. | | Deposit date: | 2016-08-11 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A combined approach reveals a regulatory mechanism coupling Src's kinase activity, localization, and phosphotransferase-independent functions
Mol.Cell, 2019
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7ZVR
 | | Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) complexed with zeaxanthin | | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, Carotenoid-binding protein | | Authors: | Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O. | | Deposit date: | 2022-05-17 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the carotenoid binding and transport function of a START domain.
Structure, 30, 2022
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3OKN
 | | Crystal structure of S25-39 in complex with Kdo(2.4)Kdo(2.4)Kdo | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, S25-39 Fab (IgG1k) heavy chain, S25-39 Fab (IgG1k) light chain, ... | | Authors: | Blackler, R.J, Evans, S.V. | | Deposit date: | 2010-08-25 | | Release date: | 2011-04-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A Common NH53K Mutation in the Combining Site of Antibodies Raised against Chlamydial LPS Glycoconjugates Significantly Increases Avidity.
Biochemistry, 50, 2011
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8ASL
 | | RCII/PSI complex, class 2 | | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3'R)-3'-hydroxy-beta,beta-caroten-4-one, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Zhao, Z, Vercellino, I, Knoppova, J, Sobotka, R, Murray, J.W, Nixon, P.J, Sazanov, L.A, Komenda, J. | | Deposit date: | 2022-08-19 | | Release date: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | The Ycf48 accessory factor occupies the site of the oxygen-evolving manganese cluster during photosystem II biogenesis.
Nat Commun, 14, 2023
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8ASP
 | | RCII/PSI complex, focused refinement of PSI | | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3'R)-3'-hydroxy-beta,beta-caroten-4-one, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Zhao, Z, Vercellino, I, Knoppova, J, Sobotka, R, Murray, J.W, Nixon, P.J, Sazanov, L.A, Komenda, J. | | Deposit date: | 2022-08-20 | | Release date: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | The Ycf48 accessory factor occupies the site of the oxygen-evolving manganese cluster during photosystem II biogenesis.
Nat Commun, 14, 2023
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8AM5
 | | RCII/PSI complex, class 3 | | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3'R)-3'-hydroxy-beta,beta-caroten-4-one, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Zhao, Z, Vercellino, I, Knoppova, J, Sobotka, R, Murray, J.W, Nixon, P.J, Sazanov, L.A, Komenda, J. | | Deposit date: | 2022-08-02 | | Release date: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The Ycf48 accessory factor occupies the site of the oxygen-evolving manganese cluster during photosystem II biogenesis.
Nat Commun, 14, 2023
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3OKK
 | | Crystal structure of S25-39 in complex with Kdo(2.4)Kdo | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, S25-39 Fab (IgG1k) heavy chain, S25-39 Fab (IgG1k) light chain, ... | | Authors: | Blackler, R.J, Evans, S.V. | | Deposit date: | 2010-08-25 | | Release date: | 2011-04-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Common NH53K Mutation in the Combining Site of Antibodies Raised against Chlamydial LPS Glycoconjugates Significantly Increases Avidity.
Biochemistry, 50, 2011
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3OKO
 | | Crystal structure of S25-39 in complex with Kdo(2.8)Kdo(2.4)Kdo | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, S25-39 Fab (IgG1k) heavy chain, S25-39 Fab (IgG1k) light chain, ... | | Authors: | Blackler, R.J, Evans, S.V. | | Deposit date: | 2010-08-25 | | Release date: | 2011-04-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A Common NH53K Mutation in the Combining Site of Antibodies Raised against Chlamydial LPS Glycoconjugates Significantly Increases Avidity.
Biochemistry, 50, 2011
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3OKL
 | | Crystal structure of S25-39 in complex with Kdo(2.8)Kdo | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, S25-39 Fab (IgG1k) heavy chain, S25-39 Fab (IgG1k) light chain, ... | | Authors: | Blackler, R.J, Evans, S.V. | | Deposit date: | 2010-08-25 | | Release date: | 2011-04-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Common NH53K Mutation in the Combining Site of Antibodies Raised against Chlamydial LPS Glycoconjugates Significantly Increases Avidity.
Biochemistry, 50, 2011
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6XA2
 | | Structure of the tirandamycin C-bound P450 monooxygenase TamI | | Descriptor: | (3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione, PROTOPORPHYRIN IX CONTAINING FE, TamI | | Authors: | Newmister, S.A, Srivastava, K.R, Espinoza, R.V, Haatveit, K.C, Khatri, Y, Martini, R.M, Garcia-Borras, M, Podust, L.M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2020-06-03 | | Release date: | 2021-06-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Molecular Basis of Iterative C─H Oxidation by TamI, a Multifunctional P450 monooxygenase from the Tirandamycin Biosynthetic Pathway.
Acs Catalysis, 10, 2020
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4Q27
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3W37
 | | Sugar beet alpha-glucosidase with acarbose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | | Authors: | Tagami, T, Yamashita, K, Okuyama, M, Mori, H, Yao, M, Kimura, A. | | Deposit date: | 2012-12-13 | | Release date: | 2013-05-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular basis for the recognition of long-chain substrates by plant & alpha-glucosidase
J.Biol.Chem., 288, 2013
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8GLP
 | | mRNA decoding in human is kinetically and structurally distinct from bacteria (Consensus LSU focused refined structure) | | Descriptor: | 1,4-DIAMINOBUTANE, 18S rRNA, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Watson, Z.L, Altman, R.B, Blanchard, S.C. | | Deposit date: | 2023-03-22 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (1.67 Å) | | Cite: | mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
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8G5Z
 | | mRNA decoding in human is kinetically and structurally distinct from bacteria (GA state) | | Descriptor: | 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ... | | Authors: | Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
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8G5Y
 | | mRNA decoding in human is kinetically and structurally distinct from bacteria (IC state) | | Descriptor: | 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ... | | Authors: | Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.29 Å) | | Cite: | mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
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8G60
 | | mRNA decoding in human is kinetically and structurally distinct from bacteria (CR state) | | Descriptor: | 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ... | | Authors: | Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.54 Å) | | Cite: | mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
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8G61
 | | mRNA decoding in human is kinetically and structurally distinct from bacteria (AC state) | | Descriptor: | 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ... | | Authors: | Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
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