5EXV
 
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2ZJW
 | | Crystal structure of human CK2 alpha complexed with Ellagic acid | | Descriptor: | 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione, Casein kinase II subunit alpha | | Authors: | Sekiguchi, Y, Kinoshita, T, Nakaniwa, T, Tada, T. | | Deposit date: | 2008-03-11 | | Release date: | 2009-03-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid
Bioorg.Med.Chem.Lett., 19, 2009
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5B59
 | | Hen egg-white lysozyme modified with a keto-ABNO. | | Descriptor: | (2~{S})-2-azanyl-3-[(2~{R},3~{S})-2-oxidanyl-3-[[(1~{S},5~{R})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanal, Lysozyme C | | Authors: | Sasaki, D, Seki, Y, Sohma, Y, Oisaki, K, Kanai, M. | | Deposit date: | 2016-04-28 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Transition Metal-Free Tryptophan-Selective Bioconjugation of Proteins
J.Am.Chem.Soc., 138, 2016
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3AMY
 | | Crystal structure of human CK2 alpha complexed with apigenin | | Descriptor: | 1,2-ETHANEDIOL, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Casein kinase II subunit alpha | | Authors: | Sekiguchi, Y, Nakaniwa, T, Kinoshita, T, Tada, T. | | Deposit date: | 2010-08-25 | | Release date: | 2011-10-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of human CK2 alpha complexed with apigenin
To be Published
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1SKY
 | | CRYSTAL STRUCTURE OF THE NUCLEOTIDE FREE ALPHA3BETA3 SUB-COMPLEX OF F1-ATPASE FROM THE THERMOPHILIC BACILLUS PS3 | | Descriptor: | F1-ATPASE, SULFATE ION | | Authors: | Shirakihara, Y, Leslie, A.G.W, Abrahams, J.P, Walker, J.E, Ueda, T, Sekimoto, Y, Kambara, M, Saika, K, Kagawa, Y, Yoshida, M. | | Deposit date: | 1997-02-26 | | Release date: | 1998-03-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The crystal structure of the nucleotide-free alpha 3 beta 3 subcomplex of F1-ATPase from the thermophilic Bacillus PS3 is a symmetric trimer.
Structure, 5, 1997
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3WAR
 | | Crystal structure of human CK2a | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, NICOTINIC ACID | | Authors: | Kinoshita, T, Nakaniwa, T, Sekiguchi, Y, Sogabe, Y, Sakurai, A, Nakamura, S, Nakanishi, I. | | Deposit date: | 2013-05-07 | | Release date: | 2013-10-30 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Crystal structure of human CK2 alpha at 1.06 angstrom resolution
J.SYNCHROTRON RADIAT., 20, 2013
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3WOW
 | | Crystal structure of human CK2a with AMPPNP | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, MAGNESIUM ION, ... | | Authors: | Kinoshita, T, Nakaniwa, T, Sekiguchi, Y, Sogabe, Y, Sakurai, A, Nakamura, S, Nakanishi, I, Shimada, K, Tanaka, M. | | Deposit date: | 2014-01-06 | | Release date: | 2015-02-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A hydrophobic residue divergence of CK2a contribute to a species-dependent variation for apigenin binding mode but not for an ATP analogue
To be Published
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1WY5
 | | Crystal structure of isoluecyl-tRNA lysidine synthetase | | Descriptor: | Hypothetical UPF0072 protein AQ_1887 | | Authors: | Nakanishi, K, Fukai, S, Ikeuchi, Y, Soma, A, Sekine, Y, Suzuki, T, Nureki, O, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-02-06 | | Release date: | 2005-05-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural basis for lysidine formation by ATP pyrophosphatase accompanied by a lysine-specific loop and a tRNA-recognition domain.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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3X2S
 | | Crystal structure of pyrene-conjugated adenylate kinase | | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Fujii, A, Sekiguchi, Y, Matsumura, H, Inoue, T, Chung, W.-S, Hirota, S, Matsuo, T. | | Deposit date: | 2014-12-31 | | Release date: | 2015-04-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Excimer Emission Properties on Pyrene-Labeled Protein Surface: Correlation between Emission Spectra, Ring Stacking Modes, and Flexibilities of Pyrene Probes.
Bioconjug.Chem., 26, 2015
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7WCE
 | | Crystal structure of HIV-1 integrase catalytic core domain in complex with (2S)-2-(tert-Butoxy)-2-(10-fluoro-2-(2-hydroxy-4-methylphenyl)-1,4-dimethyl-5-(methylsulfonyl)-5,6-dihydrophenanthridin-3-yl)acetic acid | | Descriptor: | (2S)-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6H-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, GLYCEROL, Integrase catalytic, ... | | Authors: | Taoda, Y, Sekiguchi, Y. | | Deposit date: | 2021-12-20 | | Release date: | 2022-09-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of tricyclic HIV-1 integrase-LEDGF/p75 allosteric inhibitors by intramolecular direct arylation reaction.
Bioorg.Med.Chem.Lett., 64, 2022
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7D83
 | | Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic acid | | Descriptor: | (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION | | Authors: | Sugiyama, S, Sekiguchi, Y. | | Deposit date: | 2020-10-07 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of novel HIV-1 integrase-LEDGF/p75 allosteric inhibitors based on a pyridine scaffold forming an intramolecular hydrogen bond.
Bioorg.Med.Chem.Lett., 33, 2020
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7E18
 | | Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor YH-53 | | Descriptor: | 1,2-ETHANEDIOL, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Replicase polyprotein 1ab | | Authors: | Senda, M, Konno, S, Hayashi, Y, Senda, T. | | Deposit date: | 2021-02-01 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | 3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents.
J.Med.Chem., 65, 2022
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7E19
 | | Crystal structure of SAR-CoV-2 3CL protease complex with inhibitor SH-5 | | Descriptor: | (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate, 3C-like proteinase | | Authors: | Senda, M, Konno, S, Hayashi, Y, Senda, T. | | Deposit date: | 2021-02-01 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | 3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents.
J.Med.Chem., 65, 2022
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3E3B
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6EZO
 | | Eukaryotic initiation factor EIF2B in complex with ISRIB | | Descriptor: | 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Human eukaryotic initiation factor EIF2B epsilon subunits, Translation initiation factor eIF-2B subunit alpha, ... | | Authors: | Faille, A, Weis, F, Zyryanova, A, Warren, A.J, Ron, D. | | Deposit date: | 2017-11-16 | | Release date: | 2018-03-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Binding of ISRIB reveals a regulatory site in the nucleotide exchange factor eIF2B.
Science, 359, 2018
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5YFI
 | | Crystal structure of the anti-human prostaglandin E receptor EP4 antibody Fab fragment | | Descriptor: | Heavy chain of Fab fragment, Light chain of Fab fragment, ZINC ION | | Authors: | Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T. | | Deposit date: | 2017-09-21 | | Release date: | 2018-12-05 | | Last modified: | 2019-03-06 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
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5YHL
 | | Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and an antagonist Br-derivative | | Descriptor: | 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ... | | Authors: | Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T. | | Deposit date: | 2017-09-28 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
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5YWY
 | | Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and ONO-AE3-208 | | Descriptor: | 4-[4-cyano-2-[[(2R)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ... | | Authors: | Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T. | | Deposit date: | 2017-11-30 | | Release date: | 2018-12-05 | | Last modified: | 2018-12-19 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
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6M1B
 | | A new V27M variant of beta 2 microglobulin induced amyloidosis in a patient with long-term hemodialysis | | Descriptor: | Beta-2-microglobulin, CALCIUM ION, GLYCEROL, ... | | Authors: | So, M, Nakahara, S, Nakaniwa, T, Tanaka, H, Kurisu, G, Goto, Y. | | Deposit date: | 2020-02-25 | | Release date: | 2021-01-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Dialysis-related amyloidosis associated with a novel beta 2 -microglobulin variant.
Amyloid, 28, 2021
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5X79
 | | Human GST Pi conjugated with novel inhibitor, GS-ESF | | Descriptor: | (2S)-2-azanyl-5-[[(2R)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase P | | Authors: | Tomoike, F, Shishido, Y, Fukui, K, Kimura, Y, Abe, H. | | Deposit date: | 2017-02-24 | | Release date: | 2017-09-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A covalent G-site inhibitor for glutathione S-transferase Pi (GSTP1-1).
Chem. Commun. (Camb.), 53, 2017
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7CMM
 | | Crystal structure of TEAD1-YBD in complex with K-975 | | Descriptor: | N-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide, Transcriptional enhancer factor TEF-1 | | Authors: | Tsuji, Y, Suzuki, M, Yasunaga, M, Hamguchi, K, Saito, J. | | Deposit date: | 2020-07-28 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | The novel potent TEAD inhibitor, K-975, inhibits YAP1/TAZ-TEAD protein-protein interactions and exerts an anti-tumor effect on malignant pleural mesothelioma.
Am J Cancer Res, 10, 2020
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3AT3
 | | Crystal structure of CK2alpha with pyradine derivative | | Descriptor: | (1-{6-[6-(cyclopentylamino)-1H-indazol-1-yl]pyrazin-2-yl}-1H-pyrrol-3-yl)acetic acid, Casein kinase II subunit alpha | | Authors: | Kinoshita, T. | | Deposit date: | 2010-12-23 | | Release date: | 2011-11-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase
Mol.Cell.Biochem., 356, 2011
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3AT2
 | | Crystal structure of CK2alpha | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha | | Authors: | Kinoshita, T. | | Deposit date: | 2010-12-23 | | Release date: | 2011-11-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase
Mol.Cell.Biochem., 356, 2011
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3AT4
 | | Crystal structure of CK2alpha with pyradine derivertive | | Descriptor: | Casein kinase II subunit alpha, [1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid | | Authors: | Kinoshita, T. | | Deposit date: | 2010-12-23 | | Release date: | 2011-11-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase
Mol.Cell.Biochem., 356, 2011
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7EXK
 | | An AA9 LPMO of Ceriporiopsis subvermispora | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nguyen, H, Kondo, K, Nagata, T, Katahira, M, Mikami, B. | | Deposit date: | 2021-05-27 | | Release date: | 2022-05-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Functional and Structural Characterizations of Lytic Polysaccharide Monooxygenase, Which Cooperates Synergistically with Cellulases, from Ceriporiopsis subvermispora.
Acs Sustain Chem Eng, 10, 2022
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