5NHF
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![BU of 5nhf by Molmil](/molmil-images/mine/5nhf) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-21 | Release date: | 2017-04-19 | Last modified: | 2017-05-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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7BUC
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![BU of 7buc by Molmil](/molmil-images/mine/7buc) | Crystal structure of EHMT2 SET domain in complex with compound 13 | Descriptor: | Histone-lysine N-methyltransferase EHMT2, N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine, S-ADENOSYLMETHIONINE, ... | Authors: | Suzuki, M, Mizuno, M, Katayama, K. | Deposit date: | 2020-04-06 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of novel histone lysine methyltransferase G9a/GLP (EHMT2/1) inhibitors: Design, synthesis, and structure-activity relationships of 2,4-diamino-6-methylpyrimidines. Bioorg.Med.Chem.Lett., 30, 2020
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5NHJ
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![BU of 5nhj by Molmil](/molmil-images/mine/5nhj) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-21 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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3LMD
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![BU of 3lmd by Molmil](/molmil-images/mine/3lmd) | Crystal structure of geranylgeranyl pyrophosphate synthase from corynebacterium glutamicum atcc 13032 | Descriptor: | Geranylgeranyl pyrophosphate synthase | Authors: | Patskovsky, Y, Ho, M, Toro, R, Rutter, M, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-01-29 | Release date: | 2010-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Geranylgeranyl Pyrophosphate Synthase from Corynebacterium Glutamicum To be Published
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5NHP
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![BU of 5nhp by Molmil](/molmil-images/mine/5nhp) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-22 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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2RO0
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![BU of 2ro0 by Molmil](/molmil-images/mine/2ro0) | Solution structure of the knotted tudor domain of the yeast histone acetyltransferase, Esa1 | Descriptor: | Histone acetyltransferase ESA1 | Authors: | Shimojo, H, Sano, N, Moriwaki, Y, Okuda, M, Horikoshi, M, Nishimura, Y. | Deposit date: | 2008-03-01 | Release date: | 2008-04-29 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Novel structural and functional mode of a knot essential for RNA binding activity of the Esa1 presumed chromodomain J.Mol.Biol., 378, 2008
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6H8C
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![BU of 6h8c by Molmil](/molmil-images/mine/6h8c) | Structure of the human GABARAPL2 protein in complex with the UBA5 LIR motif | Descriptor: | Gamma-aminobutyric acid receptor-associated protein-like 2, Ubiquitin-like modifier-activating enzyme 5 | Authors: | Huber, J, Loehr, F, Gruber, J, Akutsu, M, Guentert, P, Doetsch, V, Rogov, V.V. | Deposit date: | 2018-08-02 | Release date: | 2019-05-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | An atypical LIR motif within UBA5 (ubiquitin like modifier activating enzyme 5) interacts with GABARAP proteins and mediates membrane localization of UBA5. Autophagy, 16, 2020
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5NJE
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![BU of 5nje by Molmil](/molmil-images/mine/5nje) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with Alpha-Bromo-3-Iodotoluene. | Descriptor: | Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-03-28 | Release date: | 2018-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation. Sci Rep, 9, 2019
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6FD7
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![BU of 6fd7 by Molmil](/molmil-images/mine/6fd7) | |
6Q4Y
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![BU of 6q4y by Molmil](/molmil-images/mine/6q4y) | Structure of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana, in complex with mannose | Descriptor: | LmxM MPT-2, alpha-D-mannopyranose, beta-D-mannopyranose | Authors: | Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J. | Deposit date: | 2018-12-06 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites. Cell Host Microbe, 26, 2019
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2BDD
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![BU of 2bdd by Molmil](/molmil-images/mine/2bdd) | Crystal Structure of Holo-ACP-synthase from Plasmodium yoelii | Descriptor: | ACP-synthase | Authors: | Dong, A, Melone, M, Zhao, Y, Lew, J, Koeieradzki, I, Alam, Z, Wasney, G, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-10-20 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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3LJX
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![BU of 3ljx by Molmil](/molmil-images/mine/3ljx) | Crystal Structure of MmoQ Response regulator (fragment 20-298) from Methylococcus capsulatus str. Bath, Northeast Structural Genomics Consortium Target McR175G | Descriptor: | CHLORIDE ION, MmoQ Response regulator | Authors: | Kuzin, A, Scott, L, Forouhar, F, Abashidze, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-01-26 | Release date: | 2010-02-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Northeast Structural Genomics Consortium Target McR175G To be published, 2009
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5NOV
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![BU of 5nov by Molmil](/molmil-images/mine/5nov) | Structure of cyclophilin A in complex with hexahydropyrimidine-2-thione | Descriptor: | 1,3-diazinane-2-thione, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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1WM6
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![BU of 1wm6 by Molmil](/molmil-images/mine/1wm6) | |
1WLV
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![BU of 1wlv by Molmil](/molmil-images/mine/1wlv) | Crystal structure of TT0310 protein from Thermus thermophilus HB8 | Descriptor: | ACETATE ION, CHLORIDE ION, COENZYME A, ... | Authors: | Kunishima, N, Sugahara, M, Miyano, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-06-29 | Release date: | 2005-07-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Novel Induced-fit Reaction Mechanism of Asymmetric Hot Dog Thioesterase PaaI J.Mol.Biol., 352, 2005
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2JEO
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![BU of 2jeo by Molmil](/molmil-images/mine/2jeo) | Crystal structure of human uridine-cytidine kinase 1 | Descriptor: | URIDINE-CYTIDINE KINASE 1 | Authors: | Kosinska, U, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E.P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Uppsten, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2007-01-18 | Release date: | 2007-01-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Human Uridine-Cytidine Kinase 1 To be Published
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6FES
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![BU of 6fes by Molmil](/molmil-images/mine/6fes) | Crystal structure of novel repeat protein BRIC2 fused to DARPin D12 | Descriptor: | 1,2-ETHANEDIOL, D12_BRIC2, a synthetic protein,D12_BRIC2, ... | Authors: | ElGamacy, M, Coles, M, Ernst, P, Zhu, H, Hartmann, M.D, Plueckthun, A, Lupas, A. | Deposit date: | 2018-01-03 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | An Interface-Driven Design Strategy Yields a Novel, Corrugated Protein Architecture. ACS Synth Biol, 7, 2018
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1WNV
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![BU of 1wnv by Molmil](/molmil-images/mine/1wnv) | D136A mutant of Heme Oxygenase from Corynebacterium diphtheriae (HmuO) | Descriptor: | Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Matsui, T, Unno, M, Ikeda-Saito, M. | Deposit date: | 2004-08-10 | Release date: | 2004-11-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Roles of Distal Asp in Heme Oxygenase from Corynebacterium diphtheriae, HmuO: A WATER-DRIVEN OXYGEN ACTIVATION MECHANISM J.Biol.Chem., 280, 2005
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6Q06
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![BU of 6q06 by Molmil](/molmil-images/mine/6q06) | MERS-CoV S structure in complex with 2,3-sialyl-N-acetyl-lactosamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ... | Authors: | Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2019-08-01 | Release date: | 2019-12-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors. Nat.Struct.Mol.Biol., 26, 2019
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6Q31
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![BU of 6q31 by Molmil](/molmil-images/mine/6q31) | Dye type peroxidase Aa from Streptomyces lividans: 156.8 kGy structure | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | Deposit date: | 2018-12-03 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins. Iucrj, 6, 2019
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1WUN
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![BU of 1wun by Molmil](/molmil-images/mine/1wun) | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-Trp-Gln-p-aminobenzamidine | Descriptor: | CALCIUM ION, Coagulation factor VII, N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE, ... | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Yoshihashi, K, Kitazawa, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | Deposit date: | 2004-12-08 | Release date: | 2005-12-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design of P3 moieties in the peptide mimetic factor VIIa inhibitor Biochem.Biophys.Res.Commun., 327, 2005
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5NI1
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![BU of 5ni1 by Molmil](/molmil-images/mine/5ni1) | CryoEM structure of haemoglobin at 3.2 A determined with the Volta phase plate | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Khoshouei, M, Radjainia, M, Bunker, R, Baumeister, W, Danev, R. | Deposit date: | 2017-03-22 | Release date: | 2017-04-12 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of haemoglobin at 3.2 angstrom determined with the Volta phase plate. Nat Commun, 8, 2017
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5F8X
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![BU of 5f8x by Molmil](/molmil-images/mine/5f8x) | The crystal structure of human plasma kallikrein in complex with its peptide inhibitor pkalin-3 | Descriptor: | CYS-PRO-ALA-ARG-PHE-M70-ALA-LEU-TRP-CYS, Plasma kallikrein, SULFATE ION, ... | Authors: | Xu, M, Jiang, L, Xu, P, Luo, Z, Andreasen, P, Huang, M. | Deposit date: | 2015-12-09 | Release date: | 2016-12-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Crystal Structure Of Human Plasma Kallikrein In Complex With Its Peptide Inhibitor Pkalin-3 To Be Published
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6Q4X
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![BU of 6q4x by Molmil](/molmil-images/mine/6q4x) | Structure of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana | Descriptor: | SODIUM ION, Uncharacterized protein | Authors: | Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J. | Deposit date: | 2018-12-06 | Release date: | 2019-09-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites. Cell Host Microbe, 26, 2019
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1WWH
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![BU of 1wwh by Molmil](/molmil-images/mine/1wwh) | Crystal structure of the MPPN domain of mouse Nup35 | Descriptor: | nucleoporin 35 | Authors: | Handa, N, Murayama, K, Kukimoto, M, Hamana, H, Uchikubo, T, Takemoto, C, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-01-05 | Release date: | 2005-07-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The crystal structure of mouse Nup35 reveals atypical RNP motifs and novel homodimerization of the RRM domain J.Mol.Biol., 363, 2006
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