1AU6
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![BU of 1au6 by Molmil](/molmil-images/mine/1au6) | SOLUTION STRUCTURE OF DNA D(CATGCATG) INTERSTRAND-CROSSLINKED BY BISPLATIN COMPOUND (1,1/T,T), NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | BIS(TRANS-PLATINUM ETHYLENEDIAMINE DIAMINE CHLORO)COMPLEX, DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3') | Authors: | Yang, D, Van Boom, S.S.G.E, Reedijk, J, Van Boom, J.H, Farrell, N, Wang, A.H.-J. | Deposit date: | 1997-09-11 | Release date: | 1998-02-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A novel DNA structure induced by the anticancer bisplatinum compound crosslinked to a GpC site in DNA. Nat.Struct.Biol., 2, 1995
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1BGK
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![BU of 1bgk by Molmil](/molmil-images/mine/1bgk) | SEA ANEMONE TOXIN (BGK) WITH HIGH AFFINITY FOR VOLTAGE DEPENDENT POTASSIUM CHANNEL, NMR, 15 STRUCTURES | Descriptor: | BGK | Authors: | Dauplais, M, Lecoq, A, Song, J, Cotton, J, Jamin, N, Gilquin, B, Roumestand, C, Vita, C, Harvey, A, Menez, A. | Deposit date: | 1996-05-08 | Release date: | 1997-01-27 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | On the convergent evolution of animal toxins. Conservation of a diad of functional residues in potassium channel-blocking toxins with unrelated structures. J.Biol.Chem., 272, 1997
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1JH4
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![BU of 1jh4 by Molmil](/molmil-images/mine/1jh4) | Solution structure of the C-terminal PABC domain of human poly(A)-binding protein in complex with the peptide from Paip1 | Descriptor: | polyadenylate-binding protein 1, polyadenylate-binding protein-interacting protein-1 | Authors: | Kozlov, G, Siddiqui, N, Coillet-Matillon, S, Ekiel, I, Gehring, K. | Deposit date: | 2001-06-27 | Release date: | 2003-06-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural basis of ligand recognition by PABC, a highly specific peptide-binding domain found in poly(A)-binding protein and a HECT ubiquitin ligase EMBO J., 23, 2004
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5F4N
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![BU of 5f4n by Molmil](/molmil-images/mine/5f4n) | Multi-parameter lead optimization to give an oral CHK1 inhibitor clinical candidate: (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737) | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase Chk1, ... | Authors: | Collins, I, Garrett, M.D, van Montfort, R, Osborne, J.D, Matthews, T.P, McHardy, T, Proisy, N, Cheung, K.J, Lainchbury, M, Brown, N, Walton, M.I, Eve, P.D, Boxall, K.J, Hayes, A, Henley, A.T, Valenti, M.R, De Haven Brandon, A.K, Box, G, Westwood, I.M, Jamin, Y, Robinson, S.P, Leonard, P, Reader, J.C, Aherne, G.W, Raynaud, F.I, Eccles, S.A. | Deposit date: | 2015-12-03 | Release date: | 2016-05-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737). J.Med.Chem., 59, 2016
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6P5S
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![BU of 6p5s by Molmil](/molmil-images/mine/6p5s) | HIPK2 kinase domain bound to CX-4945 | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Homeodomain-interacting protein kinase 2 | Authors: | Agnew, C, Liu, L, Jura, N. | Deposit date: | 2019-05-30 | Release date: | 2019-07-31 | Last modified: | 2019-09-25 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | The crystal structure of the protein kinase HIPK2 reveals a unique architecture of its CMGC-insert region. J.Biol.Chem., 294, 2019
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5EX0
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![BU of 5ex0 by Molmil](/molmil-images/mine/5ex0) | Crystal structure of human SMYD3 in complex with a MAP3K2 peptide | Descriptor: | ACETIC ACID, Histone-lysine N-methyltransferase SMYD3, MAP3K2 peptide, ... | Authors: | Fu, W, Liu, N, Qiao, Q, Wang, M, Min, J, Zhu, B, Xu, R.M, Yang, N. | Deposit date: | 2015-11-23 | Release date: | 2016-03-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis for Substrate Preference of SMYD3, a SET Domain-containing Protein Lysine Methyltransferase J.Biol.Chem., 291, 2016
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5EX3
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![BU of 5ex3 by Molmil](/molmil-images/mine/5ex3) | Crystal structure of human SMYD3 in complex with a VEGFR1 peptide | Descriptor: | ACETIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Qiao, Q, Fu, W, Liu, N, Wang, M, Min, J, Zhu, B, Xu, R.M, Yang, N. | Deposit date: | 2015-11-23 | Release date: | 2016-03-09 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.408 Å) | Cite: | Structural Basis for Substrate Preference of SMYD3, a SET Domain-containing Protein Lysine Methyltransferase J.Biol.Chem., 291, 2016
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6V82
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![BU of 6v82 by Molmil](/molmil-images/mine/6v82) | Crystal structure of tryptophan synthase from Chlamydia trachomatis D/UW-3/CX | Descriptor: | SULFATE ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain, ... | Authors: | Michalska, K, Maltseva, N, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-10 | Release date: | 2020-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.424 Å) | Cite: | Catalytically impaired TrpA subunit of tryptophan synthase from Chlamydia trachomatis is an allosteric regulator of TrpB. Protein Sci., 30, 2021
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1B4A
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![BU of 1b4a by Molmil](/molmil-images/mine/1b4a) | STRUCTURE OF THE ARGININE REPRESSOR FROM BACILLUS STEAROTHERMOPHILUS | Descriptor: | ARGININE REPRESSOR | Authors: | Ni, J, Sakanyan, V, Charlier, D, Glansdorff, N, Van Duyne, G.D. | Deposit date: | 1998-12-18 | Release date: | 1999-06-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the arginine repressor from Bacillus stearothermophilus. Nat.Struct.Biol., 6, 1999
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6AWB
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![BU of 6awb by Molmil](/molmil-images/mine/6awb) | Structure of 30S ribosomal subunit and RNA polymerase complex in non-rotated state | Descriptor: | 16S rRNA, 30S ribosomal protein S1, 30S ribosomal protein S10, ... | Authors: | Demo, G, Rasouly, A, Vasilyev, N, Loveland, A.B, Diaz-Avalos, R, Grigorieff, N, Nudler, E, Korostelev, A.A. | Deposit date: | 2017-09-05 | Release date: | 2017-10-18 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | Structure of RNA polymerase bound to ribosomal 30S subunit. Elife, 6, 2017
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1OI7
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![BU of 1oi7 by Molmil](/molmil-images/mine/1oi7) | The Crystal Structure of Succinyl-CoA synthetase alpha subunit from Thermus Thermophilus | Descriptor: | SUCCINYL-COA SYNTHETASE ALPHA CHAIN | Authors: | Takahashi, H, Tokunaga, Y, Kuroishi, C, Babayeva, N, Kuramitsu, S, Yokoyama, S, Miyano, M, Tahirov, T.H. | Deposit date: | 2003-06-10 | Release date: | 2003-07-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | The Crystal Structure of Succinyl-Coa Synthetase from Thermus Thermophilus To be Published
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1AV2
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![BU of 1av2 by Molmil](/molmil-images/mine/1av2) | Gramicidin A/CsCl complex, active as a dimer | Descriptor: | CESIUM ION, CHLORIDE ION, GRAMICIDIN A, ... | Authors: | Burkhart, B.M, Li, N, Langs, D.A, Duax, W.L. | Deposit date: | 1997-09-23 | Release date: | 1998-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Conducting Form of Gramicidin a is a Right-Handed Double-Stranded Double Helix. Proc.Natl.Acad.Sci.USA, 95, 1998
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1BFZ
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![BU of 1bfz by Molmil](/molmil-images/mine/1bfz) | BOUND CONFORMATION OF N-TERMINAL CLEAVAGE PRODUCT PEPTIDE MIMIC (P1-P9 OF RELEASE SITE) WHILE BOUND TO HCMV PROTEASE AS DETERMINED BY TRANSFERRED NOESY EXPERIMENTS (P1-P5 SHOWN ONLY), NMR, 32 STRUCTURES | Descriptor: | HCMV PROTEASE R-SITE N-TERMINAL CLEAVAGE PRODUCT | Authors: | Laplante, S.R, Aubry, N, Bonneau, P.R, Cameron, D.R, Lagace, L, Massariol, M.-J, Montpetit, H, Ploufe, C, Kawai, S.H, Fulton, B.D, Chen, Z, Ni, F. | Deposit date: | 1998-05-25 | Release date: | 1999-05-25 | Last modified: | 2024-06-05 | Method: | SOLUTION NMR | Cite: | Human cytomegalovirus protease complexes its substrate recognition sequences in an extended peptide conformation. Biochemistry, 37, 1998
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6AWD
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![BU of 6awd by Molmil](/molmil-images/mine/6awd) | Structure of 30S (S1 depleted) ribosomal subunit and RNA polymerase complex | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Demo, G, Rasouly, A, Vasilyev, N, Loveland, A.B, Diaz-Avalos, R, Grigorieff, N, Nudler, E, Korostelev, A.A. | Deposit date: | 2017-09-05 | Release date: | 2017-10-18 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (8.1 Å) | Cite: | Structure of RNA polymerase bound to ribosomal 30S subunit. Elife, 6, 2017
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1BJ5
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![BU of 1bj5 by Molmil](/molmil-images/mine/1bj5) | HUMAN SERUM ALBUMIN COMPLEXED WITH MYRISTIC ACID | Descriptor: | HUMAN SERUM ALBUMIN, MYRISTIC ACID | Authors: | Curry, S, Mandelkow, H, Brick, P, Franks, N. | Deposit date: | 1998-07-02 | Release date: | 1998-11-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human serum albumin complexed with fatty acid reveals an asymmetric distribution of binding sites. Nat.Struct.Biol., 5, 1998
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1BQF
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![BU of 1bqf by Molmil](/molmil-images/mine/1bqf) | GROWTH-BLOCKING PEPTIDE (GBP) FROM PSEUDALETIA SEPARATA | Descriptor: | PROTEIN (GROWTH-BLOCKING PEPTIDE) | Authors: | Aizawa, T, Fujitani, N, Hayakawa, Y, Ohnishi, A, Ohkubo, T, Kwano, K, Hikichi, K, Nitta, K. | Deposit date: | 1998-08-09 | Release date: | 1998-12-09 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of an insect growth factor, growth-blocking peptide. J.Biol.Chem., 274, 1999
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1BXY
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![BU of 1bxy by Molmil](/molmil-images/mine/1bxy) | CRYSTAL STRUCTURE OF RIBOSOMAL PROTEIN L30 FROM THERMUS THERMOPHILUS AT 1.9 A RESOLUTION: CONFORMATIONAL FLEXIBILITY OF THE MOLECULE. | Descriptor: | PROTEIN (RIBOSOMAL PROTEIN L30) | Authors: | Fedorov, R, Nevskaya, N, Khairullina, A, Tishchenko, S, Mikhailov, A, Garber, M, Nikonov, S. | Deposit date: | 1998-10-09 | Release date: | 1998-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of ribosomal protein L30 from Thermus thermophilus at 1.9 A resolution: conformational flexibility of the molecule. Acta Crystallogr.,Sect.D, 55, 1999
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1C1M
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![BU of 1c1m by Molmil](/molmil-images/mine/1c1m) | PORCINE ELASTASE UNDER XENON PRESSURE (8 BAR) | Descriptor: | CALCIUM ION, PROTEIN (PORCINE ELASTASE), SULFATE ION, ... | Authors: | Prange, T, Schiltz, M, Pernot, L, Colloc'h, N, Longhi, S, Bourguet, W, Fourme, R. | Deposit date: | 1999-07-22 | Release date: | 1999-07-28 | Last modified: | 2018-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploring hydrophobic sites in proteins with xenon or krypton. Proteins, 30, 1998
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2M33
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![BU of 2m33 by Molmil](/molmil-images/mine/2m33) | Solution NMR structure of full-length oxidized microsomal rabbit cytochrome b5 | Descriptor: | Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Subramanian, V, Ahuja, S, Popovych, N, Huang, R, Le Clair, S.V, Jahr, N, Soong, R, Xu, J, Yamamoto, K, Nanga, R.P, Im, S, Waskell, L, Ramamoorthy, A. | Deposit date: | 2013-01-08 | Release date: | 2013-02-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR structure of full-length mammalian cytochrome b5 To be Published
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1BMR
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![BU of 1bmr by Molmil](/molmil-images/mine/1bmr) | ALPHA-LIKE TOXIN LQH III FROM SCORPION LEIURUS QUINQUESTRIATUS HEBRAEUS, NMR, 25 STRUCTURES | Descriptor: | LQH III ALPHA-LIKE TOXIN | Authors: | Krimm, I, Gilles, N, Sautiere, P, Stankiewicz, M, Pelhate, M, Gordon, D, Lancelin, J.-M. | Deposit date: | 1998-07-24 | Release date: | 1999-02-16 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | NMR structures and activity of a novel alpha-like toxin from the scorpion Leiurus quinquestriatus hebraeus. J.Mol.Biol., 285, 1999
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1H2A
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![BU of 1h2a by Molmil](/molmil-images/mine/1h2a) | SINGLE CRYSTALS OF HYDROGENASE FROM DESULFOVIBRIO VULGARIS | Descriptor: | FE3-S4 CLUSTER, HYDROGENASE, IRON/SULFUR CLUSTER, ... | Authors: | Higuchi, Y, Yasuoka, N. | Deposit date: | 1997-10-17 | Release date: | 1999-02-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Unusual ligand structure in Ni-Fe active center and an additional Mg site in hydrogenase revealed by high resolution X-ray structure analysis. Structure, 5, 1997
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1BM1
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![BU of 1bm1 by Molmil](/molmil-images/mine/1bm1) | CRYSTAL STRUCTURE OF BACTERIORHODOPSIN IN THE LIGHT-ADAPTED STATE | Descriptor: | BACTERIORHODOPSIN, PHOSPHORIC ACID 2,3-BIS-(3,7,11,15-TETRAMETHYL-HEXADECYLOXY)-PROPYL ESTER 2-HYDROXO-3-PHOSPHONOOXY-PROPYL ESTER, RETINAL | Authors: | Sato, H, Takeda, K, Tani, K, Hino, T, Okada, T, Nakasako, M, Kamiya, N, Kouyama, T. | Deposit date: | 1998-07-28 | Release date: | 1999-04-27 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Specific lipid-protein interactions in a novel honeycomb lattice structure of bacteriorhodopsin. Acta Crystallogr.,Sect.D, 55, 1999
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7WMT
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![BU of 7wmt by Molmil](/molmil-images/mine/7wmt) | Crystal structure of small molecule 13 bound to human Nicotinamide N-methyltransferase | Descriptor: | Nicotinamide N-methyltransferase, [(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone | Authors: | Yoshida, S, Uehara, S, Kondo, N, Takahashi, Y, Yamamoto, S, Kameda, A, Kawagoe, S, Inoue, N, Yamada, M, Yoshimura, N, Tachibana, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-31 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides. J.Med.Chem., 65, 2022
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1BK0
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![BU of 1bk0 by Molmil](/molmil-images/mine/1bk0) | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE COMPLEX) | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHASE, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Roach, P.L, Clifton, I.J, Hensgens, C.M.H, Shibata, N, Schofield, C.J, Hajdu, J, Baldwin, J.E. | Deposit date: | 1998-07-14 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of isopenicillin N synthase complexed with substrate and the mechanism of penicillin formation. Nature, 387, 1997
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9F1C
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![BU of 9f1c by Molmil](/molmil-images/mine/9f1c) | Mammalian quaternary complex of a translating 80S ribosome, NAC, MetAP1 and NatA/E | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ... | Authors: | Yudin, D, Scaiola, A, Ban, N. | Deposit date: | 2024-04-18 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | NAC guides a ribosomal multienzyme complex for nascent protein processing Nature, 2024
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