8JOG
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![BU of 8jog by Molmil](/molmil-images/mine/8jog) | solution structure of Ras Binding Domein (RBD) in C-RAF with negative allosteric modulator. | Descriptor: | RAF proto-oncogene serine/threonine-protein kinase | Authors: | Makino, Y, Matsumoto, S, Yoshikawa, Y, Kawamura, T, Kumasaka, T, Shima, F. | Deposit date: | 2023-06-07 | Release date: | 2024-06-12 | Method: | SOLUTION NMR | Cite: | Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers To Be Published
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3VU0
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![BU of 3vu0 by Molmil](/molmil-images/mine/3vu0) | Crystal structure of the C-terminal globular domain of oligosaccharyltransferase (AfAglB-S2, AF_0040, O30195_ARCFU) from Archaeoglobus fulgidus | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative uncharacterized protein | Authors: | Nyirenda, J, Matsumoto, S, Saitoh, T, Maita, N, Noda, N.N, Inagaki, F, Kohda, D. | Deposit date: | 2012-06-13 | Release date: | 2013-01-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystallographic and NMR Evidence for Flexibility in Oligosaccharyltransferases and Its Catalytic Significance Structure, 21, 2013
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3VU1
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![BU of 3vu1 by Molmil](/molmil-images/mine/3vu1) | Crystal structure of the C-terminal globular domain of oligosaccharyltransferase (PhAglB-L, O74088_PYRHO) from Pyrococcus horikoshii | Descriptor: | CALCIUM ION, CHLORIDE ION, Putative uncharacterized protein PH0242 | Authors: | Nyirenda, J, Matsumoto, S, Saitoh, T, Maita, N, Noda, N.N, Inagaki, F, Kohda, D. | Deposit date: | 2012-06-13 | Release date: | 2013-01-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystallographic and NMR Evidence for Flexibility in Oligosaccharyltransferases and Its Catalytic Significance Structure, 21, 2013
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6FEK
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![BU of 6fek by Molmil](/molmil-images/mine/6fek) | |
6P4V
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![BU of 6p4v by Molmil](/molmil-images/mine/6p4v) | |
6PGR
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![BU of 6pgr by Molmil](/molmil-images/mine/6pgr) | |
5JRG
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![BU of 5jrg by Molmil](/molmil-images/mine/5jrg) | Crystal structure of the nucleosome containing the DNA with tetrahydrofuran (THF) | Descriptor: | CHLORIDE ION, DNA (145-MER), Histone H2A type 1-B/E, ... | Authors: | Osakabe, A, Arimura, Y, Horikoshi, N, Kurumizaka, H. | Deposit date: | 2016-05-06 | Release date: | 2017-03-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Polymorphism of apyrimidinic DNA structures in the nucleosome Sci Rep, 7, 2017
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6YOV
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![BU of 6yov by Molmil](/molmil-images/mine/6yov) | OCT4-SOX2-bound nucleosome - SHL+6 | Descriptor: | DNA (142-MER), Green fluorescent protein,POU domain, class 5, ... | Authors: | Michael, A.K, Kempf, G, Cavadini, S, Bunker, R.D, Thoma, N.H. | Deposit date: | 2020-04-15 | Release date: | 2020-05-06 | Last modified: | 2020-07-08 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Mechanisms of OCT4-SOX2 motif readout on nucleosomes. Science, 368, 2020
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6WKZ
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![BU of 6wkz by Molmil](/molmil-images/mine/6wkz) | Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(1R)-2-AMINO-1-PHENYLETHYL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE | Descriptor: | 6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase | Authors: | Klein, M.G, Ambrus-Aikelin, G. | Deposit date: | 2020-04-17 | Release date: | 2020-08-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase. Acs Med.Chem.Lett., 11, 2020
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6WL6
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![BU of 6wl6 by Molmil](/molmil-images/mine/6wl6) | Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(2R)-1-AMINO-4-METHYLPENTAN-2-YL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE | Descriptor: | 6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase | Authors: | Klein, M.G, Ambrus-Aikelin, G. | Deposit date: | 2020-04-18 | Release date: | 2020-08-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase. Acs Med.Chem.Lett., 11, 2020
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4A11
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![BU of 4a11 by Molmil](/molmil-images/mine/4a11) | Structure of the hsDDB1-hsCSA complex | Descriptor: | DNA DAMAGE-BINDING PROTEIN 1, DNA EXCISION REPAIR PROTEIN ERCC-8 | Authors: | Bohm, K, Scrima, A, Fischer, E.S, Gut, H, Thomae, N.H. | Deposit date: | 2011-09-13 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation. Cell(Cambridge,Mass.), 147, 2011
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4A0L
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![BU of 4a0l by Molmil](/molmil-images/mine/4a0l) | Structure of DDB1-DDB2-CUL4B-RBX1 bound to a 12 bp abasic site containing DNA-duplex | Descriptor: | 12 BP DNA DUPLEX, 12 BP THF CONTAINING DNA DUPLEX, CULLIN-4B, ... | Authors: | Fischer, E.S, Scrima, A, Gut, H, Thoma, N.H. | Deposit date: | 2011-09-09 | Release date: | 2011-12-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (7.4 Å) | Cite: | The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation. Cell(Cambridge,Mass.), 147, 2011
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4A0K
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![BU of 4a0k by Molmil](/molmil-images/mine/4a0k) | STRUCTURE OF DDB1-DDB2-CUL4A-RBX1 BOUND TO A 12 BP ABASIC SITE CONTAINING DNA-DUPLEX | Descriptor: | 12 BP DNA, 12 BP THF CONTAINING DNA, CULLIN-4A, ... | Authors: | Fischer, E.S, Scrima, A, Gut, H, Thoma, N.H. | Deposit date: | 2011-09-09 | Release date: | 2011-12-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (5.93 Å) | Cite: | The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation. Cell(Cambridge,Mass.), 147, 2011
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7XW8
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![BU of 7xw8 by Molmil](/molmil-images/mine/7xw8) | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418 distomer, FAD-adduct | Descriptor: | GLYCEROL, Lysine-specific histone demethylase 1A, MAGNESIUM ION, ... | Authors: | Oki, H. | Deposit date: | 2022-05-26 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Design, synthesis, and structure-activity relationship of TAK-418 and its derivatives as a novel series of LSD1 inhibitors with lowered risk of hematological side effects. Eur.J.Med.Chem., 239, 2022
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4WSN
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![BU of 4wsn by Molmil](/molmil-images/mine/4wsn) | Crystal structure of the COP9 signalosome, a P1 crystal form | Descriptor: | COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ... | Authors: | Bunker, R.D, Lingaraju, G.M, Thoma, N.H. | Deposit date: | 2014-10-28 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (5.5 Å) | Cite: | Cullin-RING ubiquitin E3 ligase regulation by the COP9 signalosome. Nature, 531, 2016
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4P58
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![BU of 4p58 by Molmil](/molmil-images/mine/4p58) | Crystal structure of mouse comt bound to an inhibitor | Descriptor: | 1',3'-dimethyl-1H,1'H-3,4'-bipyrazole, Catechol O-methyltransferase | Authors: | Lanier, M. | Deposit date: | 2014-03-15 | Release date: | 2014-06-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT). J.Med.Chem., 57, 2014
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2LWI
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![BU of 2lwi by Molmil](/molmil-images/mine/2lwi) | Solution structure of H-RasT35S mutant protein in complex with Kobe2601 | Descriptor: | 2-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide, GTPase HRas, MAGNESIUM ION, ... | Authors: | Araki, M, Tamura, A, Shima, F, Kataoka, T. | Deposit date: | 2012-08-01 | Release date: | 2013-05-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | In silico discovery of small-molecule Ras inhibitors that display antitumor activity by blocking the Ras-effector interaction. Proc.Natl.Acad.Sci.USA, 110, 2013
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4J52
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![BU of 4j52 by Molmil](/molmil-images/mine/4j52) | Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor | Descriptor: | 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Hosfield, D.J, Skene, R.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1). Bioorg.Med.Chem.Lett., 23, 2013
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4J53
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![BU of 4j53 by Molmil](/molmil-images/mine/4j53) | Crystal structure of PLK1 in complex with TAK-960 | Descriptor: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Hosfield, D.J, Skene, R.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1). Bioorg.Med.Chem.Lett., 23, 2013
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8JNB
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![BU of 8jnb by Molmil](/molmil-images/mine/8jnb) | CRAF ras-binding domain chimera, ligand complex | Descriptor: | 2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide, RAF proto-oncogene serine/threonine-protein kinase, CRaf | Authors: | Kawamura, T, Kumasaka, T. | Deposit date: | 2023-06-06 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers To Be Published
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8JNA
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![BU of 8jna by Molmil](/molmil-images/mine/8jna) | CRAF ras-binding domain chimera, apo form | Descriptor: | RAF proto-oncogene serine/threonine-protein kinase, CRaf | Authors: | Kawamura, T, Kumasaka, T. | Deposit date: | 2023-06-06 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers To Be Published
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6T90
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![BU of 6t90 by Molmil](/molmil-images/mine/6t90) | OCT4-SOX2-bound nucleosome - SHL-6 | Descriptor: | DNA (146-MER), Green fluorescent protein,POU domain, class 5, ... | Authors: | Michael, A.K, Kempf, G, Cavadini, S, Bunker, R.D, Thoma, N.H. | Deposit date: | 2019-10-25 | Release date: | 2020-05-06 | Last modified: | 2020-07-08 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Mechanisms of OCT4-SOX2 motif readout on nucleosomes. Science, 368, 2020
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6T93
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![BU of 6t93 by Molmil](/molmil-images/mine/6t93) | Nucleosome with OCT4-SOX2 motif at SHL-6 | Descriptor: | DNA (153-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Michael, A.K, Kempf, G, Cavadini, S, Bunker, R.D, Thoma, N.H. | Deposit date: | 2019-10-25 | Release date: | 2020-05-06 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Mechanisms of OCT4-SOX2 motif readout on nucleosomes. Science, 368, 2020
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8GR9
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![BU of 8gr9 by Molmil](/molmil-images/mine/8gr9) | Crystal structure of peroxisomal citrate synthase (Cit2) from Saccharomyces cerevisiae in complex with oxaloacetate and coenzyme-A | Descriptor: | CHLORIDE ION, COENZYME A, Citrate synthase, ... | Authors: | Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T. | Deposit date: | 2022-09-01 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress. Sci Adv, 9, 2023
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8GR8
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![BU of 8gr8 by Molmil](/molmil-images/mine/8gr8) | Crystal structure of peroxisomal citrate synthase (Cit2) from Saccharomycescerevisiae | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Citrate synthase, ... | Authors: | Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T. | Deposit date: | 2022-09-01 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress. Sci Adv, 9, 2023
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