3A2I
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![BU of 3a2i by Molmil](/molmil-images/mine/3a2i) | Crystal structure of the human vitamin D receptor (H305F) ligand binding domain complexed with TEI-9647 | Descriptor: | (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one, Vitamin D3 receptor | Authors: | Kakuda, S, Takimoto-Kamimura, M. | Deposit date: | 2009-05-20 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Structural basis of the histidine-mediated vitamin D receptor agonistic and antagonistic mechanisms of (23S)-25-dehydro-1alpha-hydroxyvitamin D(3)-26,23-lactone Acta Crystallogr.,Sect.D, 66, 2010
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1DGG
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![BU of 1dgg by Molmil](/molmil-images/mine/1dgg) | HUMAN ERYTHROCYTE CATALSE CYANIDE COMPLEX | Descriptor: | CATALASE, CYANIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Putnam, C.D, Arvai, A.S, Bourne, Y, Tainer, J.A. | Deposit date: | 1999-11-24 | Release date: | 2000-02-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Active and inhibited human catalase structures: ligand and NADPH binding and catalytic mechanism. J.Mol.Biol., 296, 2000
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5NRX
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![BU of 5nrx by Molmil](/molmil-images/mine/5nrx) | Cys-Gly dipeptidase GliJ in complex with Fe2+ | Descriptor: | CHLORIDE ION, Dipeptidase gliJ, FE (III) ION | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2017-04-25 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ. ACS Chem. Biol., 12, 2017
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8ABS
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![BU of 8abs by Molmil](/molmil-images/mine/8abs) | Crystal structure of CYP109A2 from Bacillus megaterium bound with testosterone and putative ligand 4,6-dimethyloctanoic acid | Descriptor: | (4~{S},6~{S})-4,6-dimethyloctanoic acid, Cytochrome P450, HEME B/C, ... | Authors: | Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. | Deposit date: | 2022-07-04 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling. Febs J., 290, 2023
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5F7T
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![BU of 5f7t by Molmil](/molmil-images/mine/5f7t) | TRIM5 B-box2 and coiled-coil chimera | Descriptor: | Tripartite motif-containing protein 5,Serine--tRNA ligase,Tripartite motif-containing protein 5, ZINC ION | Authors: | Wagner, J.M, Doss, G, Pornillos, O. | Deposit date: | 2015-12-08 | Release date: | 2016-06-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.292 Å) | Cite: | Mechanism of B-box 2 domain-mediated higher-order assembly of the retroviral restriction factor TRIM5 alpha. Elife, 5, 2016
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3A40
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![BU of 3a40 by Molmil](/molmil-images/mine/3a40) | Crystal structure of the human VDR ligand binding domain bound to the synthetic agonist compound 2alpha-methyl-AMCR277B(C23R) | Descriptor: | (1S,2S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor | Authors: | Sato, Y, Antony, P, Huet, T, Sigueiro, R, Rochel, N, Moras, D, Structural Proteomics in Europe 2 (SPINE-2) | Deposit date: | 2009-06-25 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-function relationships and crystal structures of the vitamin D receptor bound 2 alpha-methyl-(20S,23S)- and 2 alpha-methyl-(20S,23R)-epoxymethano-1 alpha,25-dihydroxyvitamin D3 J.Med.Chem., 53, 2010
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3AR4
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![BU of 3ar4 by Molmil](/molmil-images/mine/3ar4) | Calcium pump crystal structure with bound ATP and TG in the absence of Ca2+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | Authors: | Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S. | Deposit date: | 2010-11-24 | Release date: | 2011-02-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+ Proc.Natl.Acad.Sci.USA, 108, 2011
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3AR9
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![BU of 3ar9 by Molmil](/molmil-images/mine/3ar9) | Calcium pump crystal structure with bound BeF3, TNP-AMP and TG in the absence of calcium | Descriptor: | 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate), BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | Authors: | Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S. | Deposit date: | 2010-11-24 | Release date: | 2011-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+ Proc.Natl.Acad.Sci.USA, 108, 2011
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3AR3
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![BU of 3ar3 by Molmil](/molmil-images/mine/3ar3) | Calcium pump crystal structure with bound ADP and TG | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | Authors: | Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S. | Deposit date: | 2010-11-24 | Release date: | 2011-02-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+ Proc.Natl.Acad.Sci.USA, 108, 2011
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3AR8
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![BU of 3ar8 by Molmil](/molmil-images/mine/3ar8) | Calcium pump crystal structure with bound AlF4, TNP-AMP and TG | Descriptor: | 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate), MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | Authors: | Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S. | Deposit date: | 2010-11-24 | Release date: | 2011-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+ Proc.Natl.Acad.Sci.USA, 108, 2011
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3AR6
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![BU of 3ar6 by Molmil](/molmil-images/mine/3ar6) | Calcium pump crystal structure with bound TNP-ADP and TG in the absence of calcium | Descriptor: | 2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate), MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | Authors: | Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S. | Deposit date: | 2010-11-24 | Release date: | 2011-02-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+. Proc.Natl.Acad.Sci.USA, 108, 2011
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3BIK
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![BU of 3bik by Molmil](/molmil-images/mine/3bik) | Crystal Structure of the PD-1/PD-L1 Complex | Descriptor: | GLYCEROL, Programmed cell death 1 ligand 1, Programmed cell death protein 1 | Authors: | Lin, D.Y, Tanaka, Y, Iwasaki, M, Gittis, A.G, Su, H.P, Mikami, B, Okazaki, T, Honjo, T, Minato, N, Garboczi, D.N. | Deposit date: | 2007-11-30 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The PD-1/PD-L1 complex resembles the antigen-binding Fv domains of antibodies and T cell receptors. Proc.Natl.Acad.Sci.Usa, 105, 2008
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1BED
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![BU of 1bed by Molmil](/molmil-images/mine/1bed) | STRUCTURE OF DISULFIDE OXIDOREDUCTASE | Descriptor: | DSBA OXIDOREDUCTASE | Authors: | Hu, S.-H, Martin, J.L. | Deposit date: | 1996-09-16 | Release date: | 1997-10-08 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of TcpG, the DsbA protein folding catalyst from Vibrio cholerae. J.Mol.Biol., 268, 1997
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6OAV
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![BU of 6oav by Molmil](/molmil-images/mine/6oav) | JAK2 JH2 in complex with JAK146 | Descriptor: | 5-amino-3-[(4-cyanophenyl)amino]-N-phenyl-1H-1,2,4-triazole-1-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Krimmer, S.G, Liosi, M.E, Puleo, D.E, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2019-03-18 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.939 Å) | Cite: | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core. J.Med.Chem., 63, 2020
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1B2I
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![BU of 1b2i by Molmil](/molmil-images/mine/1b2i) | |
6E5X
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![BU of 6e5x by Molmil](/molmil-images/mine/6e5x) | Crystal structure of Ebola virus VP30 C-terminus/RBBP6 peptide complex | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase RBBP6, Minor nucleoprotein VP30 | Authors: | Liu, D, Small, G.I, Leung, D.W, Amarasinghe, G.K. | Deposit date: | 2018-07-23 | Release date: | 2018-12-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Protein Interaction Mapping Identifies RBBP6 as a Negative Regulator of Ebola Virus Replication. Cell, 175, 2018
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5KTA
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![BU of 5kta by Molmil](/molmil-images/mine/5kta) | Apo FdhC- a nucleotide-linked sugar GNAT | Descriptor: | DIMETHYL SULFOXIDE, FdhC, SULFATE ION | Authors: | Salinger, A.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2016-07-11 | Release date: | 2016-07-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural and Functional Investigation of FdhC from Acinetobacter nosocomialis: A Sugar N-Acyltransferase Belonging to the GNAT Superfamily. Biochemistry, 55, 2016
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7MAE
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![BU of 7mae by Molmil](/molmil-images/mine/7mae) | HIV-1 Protease (I84V) in Complex with PU1 (LR3-46) | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.735 Å) | Cite: | HIV-1 Protease in Complex with ligands To Be Published
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5XIT
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![BU of 5xit by Molmil](/molmil-images/mine/5xit) | Crystal structure of RNF168 UDM1 in complex with Lys63-linked diubiquitin, form II | Descriptor: | E3 ubiquitin-protein ligase RNF168, GLYCEROL, PRASEODYMIUM ION, ... | Authors: | Takahashi, T.S, Sato, Y, Fukai, S. | Deposit date: | 2017-04-27 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168. Nat Commun, 9, 2018
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5KTD
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![BU of 5ktd by Molmil](/molmil-images/mine/5ktd) | FdhC with bound products: Coenzyme A and dTDP-3-amino-3,6-dideoxy-d-glucose | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, FdhC, ... | Authors: | Salinger, A.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2016-07-11 | Release date: | 2016-07-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Functional Investigation of FdhC from Acinetobacter nosocomialis: A Sugar N-Acyltransferase Belonging to the GNAT Superfamily. Biochemistry, 55, 2016
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7MNJ
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![BU of 7mnj by Molmil](/molmil-images/mine/7mnj) | Crystal structure of the N-terminal domain of NUP358/RanBP2 (residues 145-673) | Descriptor: | E3 SUMO-protein ligase RanBP2 | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Patke, A, Dasso, M, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | Deposit date: | 2021-05-01 | Release date: | 2022-06-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Architecture of the cytoplasmic face of the nuclear pore. Science, 376, 2022
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7MNP
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![BU of 7mnp by Molmil](/molmil-images/mine/7mnp) | Crystal Structure of the ZnF2 of Nucleoporin NUP358/RanBP2 in complex with Ran-GDP | Descriptor: | E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | Deposit date: | 2021-05-01 | Release date: | 2022-06-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Architecture of the cytoplasmic face of the nuclear pore. Science, 376, 2022
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7MNK
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![BU of 7mnk by Molmil](/molmil-images/mine/7mnk) | Crystal structure of the tetramerization element of NUP358/RanBP2 (residues 805-832) | Descriptor: | 1,2-ETHANEDIOL, E3 SUMO-protein ligase RanBP2, SULFATE ION | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | Deposit date: | 2021-05-01 | Release date: | 2022-06-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Architecture of the cytoplasmic face of the nuclear pore. Science, 376, 2022
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7MNO
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![BU of 7mno by Molmil](/molmil-images/mine/7mno) | Crystal structure of the N-terminal domain of NUP358/RanBP2 (residues 1-752) I656V mutant in complex with Fab fragment | Descriptor: | Antibody Fab14 Heavy Chain, Antibody Fab14 Light Chain, E3 SUMO-protein ligase RanBP2 | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | Deposit date: | 2021-05-01 | Release date: | 2022-06-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (6.73 Å) | Cite: | Architecture of the cytoplasmic face of the nuclear pore. Science, 376, 2022
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7MNR
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![BU of 7mnr by Molmil](/molmil-images/mine/7mnr) | Crystal Structure of the ZnF3 of Nucleoporin NUP358/RanBP2 in complex with Ran-GDP | Descriptor: | E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | Deposit date: | 2021-05-01 | Release date: | 2022-06-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Architecture of the cytoplasmic face of the nuclear pore. Science, 376, 2022
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