8JOF
 
 | | solution-structure of Ras Binding Domain (RBD) in C-RAF | | 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
 | | 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
 | | 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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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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6P4V
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6PGR
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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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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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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
 | | 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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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
 | | 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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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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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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7E0G
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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
 | | 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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8GRE
 | | F-box protein in complex with skp1(FL) and substrate | | Descriptor: | Citrate synthase, E3 ubiquitin ligase complex SCF subunit, F-box protein UCC1, ... | | 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 (2.3 Å) | | Cite: | Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress.
Sci Adv, 9, 2023
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8GQZ
 | | Crystal structure of mitochondrial citrate synthase (Cit1) from Saccharomyces cerevisiae | | Descriptor: | ACETATE ION, CHLORIDE ION, Citrate synthase, ... | | Authors: | Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T. | | Deposit date: | 2022-08-31 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress.
Sci Adv, 9, 2023
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8GRF
 | | Crystal structure of F-box protein in the ternary complex with adaptor protein Skp1(DL) and its substrate | | Descriptor: | 1,2-ETHANEDIOL, Citrate synthase, E3 ubiquitin ligase complex SCF subunit, ... | | 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 (2.53 Å) | | Cite: | Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress.
Sci Adv, 9, 2023
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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
 | | 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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8H7X
 | | Crystal structure of EGFR T790M/C797S mutant in complex with brigatinib | | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor | | Authors: | Kukimoto-Niino, M, Shirouzu, M. | | Deposit date: | 2022-10-21 | | Release date: | 2023-10-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.404 Å) | | Cite: | A macrocyclic kinase inhibitor overcomes triple resistant mutations in EGFR-positive lung cancer.
NPJ Precis Oncol, 8, 2024
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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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