5SGA
 
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5XA5
 | | Crystal structure of HMP-1-HMP-2 complex | | 分子名称: | Alpha-catenin-like protein hmp-1, Beta-catenin-like protein hmp-2 | | 著者 | Shao, X, Kang, H, Weis, W.I, Hardin, J, Choi, H.J. | | 登録日 | 2017-03-11 | | 公開日 | 2017-08-30 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Cell-cell adhesion in metazoans relies on evolutionarily conserved features of the alpha-catenin· beta-catenin-binding interface.
J.Biol.Chem., 292, 2017
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6DZ2
 | | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol | | 分子名称: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, ACETIC ACID, ... | | 著者 | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | 登録日 | 2018-07-02 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
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5SW8
 | | Crystal structure of PI3Kalpha in complex with fragments 7 and 11 | | 分子名称: | 2-CHLOROBENZENESULFONAMIDE, 2H-indazol-5-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | | 登録日 | 2016-08-08 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
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5JSM
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5CNS
 | | Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to CDP and dATP at 2.97 Angstroms resolution | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, CYTIDINE-5'-DIPHOSPHATE, ... | | 著者 | Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L. | | 登録日 | 2015-07-18 | | 公開日 | 2016-01-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.975 Å) | | 主引用文献 | Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
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3HCP
 | | Human ferrochelatase with Mn and deuteroporphyrin bound | | 分子名称: | CHOLIC ACID, FE(III) DEUTEROPORPHYRIN IX, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Medlock, A.E, Dailey, H.A, Lanzilotta, W.N. | | 登録日 | 2009-05-06 | | 公開日 | 2009-11-10 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Product release rather than chelation determines metal specificity for ferrochelatase.
J.Mol.Biol., 393, 2009
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7FAL
 | | Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with T36 and L-pro | | 分子名称: | 4-[(3R)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, PROLINE, Prolyl-tRNA synthetase (ProRS) | | 著者 | Malhotra, N, Mishra, S, Yogavel, M, Sharma, A. | | 登録日 | 2021-07-06 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.219 Å) | | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
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4P37
 | | Crystal structure of the Megavirus polyadenylate synthase | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Priet, S, Lartigue, A, Claverie, J.M, Abergel, C. | | 登録日 | 2014-03-06 | | 公開日 | 2015-04-01 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | mRNA maturation in giant viruses: variation on a theme.
Nucleic Acids Res., 43, 2015
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5ZR8
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3VGP
 | | Crystal structure of the C-terminal globular domain of oligosaccharyltransferase (AF_0329) from Archaeoglobus fulgidus | | 分子名称: | Transmembrane oligosaccharyl transferase, putative | | 著者 | Matsumoto, S, Igura, M, Nyirenda, J, Yuzawa, S, Noda, N.N, Inagaki, F, Kohda, D. | | 登録日 | 2011-08-18 | | 公開日 | 2012-07-04 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal Structure of the C-Terminal Globular Domain of Oligosaccharyltransferase from Archaeoglobus fulgidus at 1.75 A Resolution
Biochemistry, 51, 2012
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4C9C
 | | Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 1E protein (Form A) | | 分子名称: | GLYCEROL, MAJOR STRAWBERRY ALLERGEN FRA A 1-E, SULFATE ION | | 著者 | Casanal, A, Zander, U, Valpuesta, V, Marquez, J.A. | | 登録日 | 2013-10-02 | | 公開日 | 2013-10-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The Strawberry Pathogenesis-Related 10 (Pr-10) Fra a Proteins Control Flavonoid Biosynthesis by Binding to Metabolic Intermediates.
J.Biol.Chem., 288, 2013
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3VLA
 | | Crystal structure of edgp | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EDGP | | 著者 | Yoshizawa, T, Shimizu, T, Hirano, H, Sato, M, Hashimoto, H. | | 登録日 | 2011-11-30 | | 公開日 | 2012-04-18 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | | 主引用文献 | Structural basis for inhibition of xyloglucan-specific endo-beta-1,4-glucanase (XEG) by XEG-protein inhibitor
J.Biol.Chem., 287, 2012
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4IXO
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6TER
 | | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with Galactose | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | | 登録日 | 2019-11-12 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides.
Cell Chem Biol, 27, 2020
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5XRA
 | | Crystal structure of the human CB1 in complex with agonist AM11542 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol, CHOLESTEROL, ... | | 著者 | Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J. | | 登録日 | 2017-06-08 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structures of agonist-bound human cannabinoid receptor CB1
Nature, 547, 2017
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7F9R
 | | Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95, L-Proline and Febrifugine | | 分子名称: | 1,2-ETHANEDIOL, 3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, CHLORIDE ION, ... | | 著者 | Manickam, Y, Malhotra, N, Sharma, A. | | 登録日 | 2021-07-04 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | TgPRS with double inhibitors
To Be Published
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5CGJ
 | | Crystal structure of murine Keap1 in complex with RA839, a non-covalent small-molecule binder to Keap1 and selective activator of Nrf2 signalling. | | 分子名称: | (3S)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid, Kelch-like ECH-associated protein 1, SULFATE ION | | 著者 | Schimanski-Breves, S, Loenze, P, Engel, C.K. | | 登録日 | 2015-07-09 | | 公開日 | 2015-10-21 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.36 Å) | | 主引用文献 | Characterization of RA839, a Noncovalent Small Molecule Binder to Keap1 and Selective Activator of Nrf2 Signaling.
J.Biol.Chem., 290, 2015
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7BTK
 | | E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA01 | | 分子名称: | 4-[[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]methyl]benzoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | 著者 | Chen, X, Hu, Y.L, Liu, Q.M, Gao, Y, Yuan, R, Guo, Y. | | 登録日 | 2020-04-01 | | 公開日 | 2021-03-03 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4J1R
 | | Crystal Structure of GSK3b in complex with inhibitor 15R | | 分子名称: | (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION, ... | | 著者 | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2013-02-01 | | 公開日 | 2013-03-20 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.702 Å) | | 主引用文献 | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
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1N1S
 | | Trypanosoma rangeli sialidase | | 分子名称: | SULFATE ION, Sialidase | | 著者 | Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M. | | 登録日 | 2002-10-20 | | 公開日 | 2003-01-07 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | The high resolution structures of free and
inhibitor-bound Trypanosoma rangeli
sialidase and its comparison with T. cruzi
trans-sialidase
J.Mol.Biol., 325, 2003
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4J2H
 | | Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708) | | 分子名称: | 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, SODIUM ION, ... | | 著者 | Sampathkumar, P, Gizzi, A, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Fiser, A, Glenn, A.S, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Love, J.D, Stead, M, Seidel, R, Toro, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2013-02-04 | | 公開日 | 2013-05-01 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708)
to be published
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6PUC
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-5-OP-RU | | 分子名称: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, CHLORIDE ION, ... | | 著者 | Awad, W, Rossjohn, J. | | 登録日 | 2019-07-18 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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1N2M
 | | The S53A Proenzyme Structure of Methanococcus jannaschii. | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, Pyruvoyl-dependent arginine decarboxylase | | 著者 | Tolbert, W.D, Graham, D.E, White, R.H, Ealick, S.E. | | 登録日 | 2002-10-23 | | 公開日 | 2003-03-25 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Pyruvoyl-Dependent Arginine Decarboxylase from Methanococcus jannaschii:
Crystal Structures of the Self-Cleaved and S53A Proenzyme Forms
Structure, 11, 2003
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4BQS
 | | Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with ADP and a shikimic acid derivative. | | 分子名称: | (1R,6R,10S)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(Z),7-diene-8-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, SHIKIMATE KINASE | | 著者 | Otero, J.M, Garcia-Doval, C, Llamas-Saiz, A.L, Blanco, B, Prado, V, Lence, E, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2013-06-02 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Mycobacterium tuberculosis shikimate kinase inhibitors: design and simulation studies of the catalytic turnover.
J. Am. Chem. Soc., 135, 2013
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