2V42
 
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6CUZ
 | | Engineered TrpB from Pyrococcus furiosus, PfTrpB7E6 with (2S,3R)-ethylserine bound as the amino-acrylate | | 分子名称: | (2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid, PHOSPHATE ION, SODIUM ION, ... | | 著者 | Scheele, R.A, Buller, A.R, Boville, C.E, Arnold, F.H. | | 登録日 | 2018-03-27 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6CUT
 | | Engineered Holo TrpB from Pyrococcus furiosus, PfTrpB7E6 with (2S,3S)-isopropylserine bound as the external aldimine | | 分子名称: | (2S,3S)-3-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name), SODIUM ION, Tryptophan synthase beta chain 1 | | 著者 | Boville, C.E, Scheele, R.A, Buller, A.R, Arnold, F.H. | | 登録日 | 2018-03-26 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
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7HOY
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014767-001 | | 分子名称: | 3-chloro-5-[(E)-({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methylidene)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, DIMETHYL SULFOXIDE, SULFATE ION, ... | | 著者 | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | | 登録日 | 2024-11-07 | | 公開日 | 2025-05-28 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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8VQ4
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | | 分子名称: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | 著者 | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | 登録日 | 2024-01-17 | | 公開日 | 2024-01-31 | | 最終更新日 | 2025-03-12 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | An allosteric cyclin E-CDK2 site mapped by paralog hopping with covalent probes.
Nat.Chem.Biol., 21, 2025
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8VQ3
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | | 分子名称: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | 著者 | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | 登録日 | 2024-01-17 | | 公開日 | 2024-01-31 | | 最終更新日 | 2025-03-12 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | An allosteric cyclin E-CDK2 site mapped by paralog hopping with covalent probes.
Nat.Chem.Biol., 21, 2025
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7RF9
 | | O2-, PLP-dependent desaturase Plu4 intermediate-bound enzyme | | 分子名称: | (2E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pentanoic acid, 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, ... | | 著者 | Hoffarth, E.R, Ryan, K.S. | | 登録日 | 2021-07-13 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.926 Å) | | 主引用文献 | A shared mechanistic pathway for pyridoxal phosphate-dependent arginine oxidases.
Proc.Natl.Acad.Sci.USA, 118, 2021
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4O4K
 | | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities | | 分子名称: | (5~{E})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one, Exonuclease, putative, ... | | 著者 | Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A. | | 登録日 | 2013-12-18 | | 公開日 | 2014-01-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
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2WO5
 | | Structure of wild type E. coli N-acetylneuraminic acid lyase in space group P21 crystal form I | | 分子名称: | N-ACETYLNEURAMINATE LYASE | | 著者 | Campeotto, I, Bolt, A.H, Harman, T.A, Trinh, C.H, Dennis, C.A, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A. | | 登録日 | 2009-07-21 | | 公開日 | 2010-08-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution.
J.Mol.Biol., 404, 2010
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2WNN
 | | Structure of wild type E. coli N-acetylneuraminic acid lyase in complex with pyruvate in space group P21 | | 分子名称: | N-ACETYLNEURAMINATE LYASE, PENTAETHYLENE GLYCOL, SODIUM ION | | 著者 | Campeotto, I, Bolt, A.H, Harman, T.A, Trinh, C.H, Dennis, C.A, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A. | | 登録日 | 2009-07-13 | | 公開日 | 2010-08-25 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution.
J.Mol.Biol., 404, 2010
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6CWD
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6HZU
 | | HUMAN JAK1 IN COMPLEX WITH LASW1393 | | 分子名称: | 2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1 | | 著者 | Lozoya, E, Segarra, V, Bach, J, Jestel, A, Lammens, A, Blaesse, M. | | 登録日 | 2018-10-24 | | 公開日 | 2019-10-23 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Identification of 2-Imidazopyridine and 2-Aminopyridone Purinones as Potent Pan-Janus Kinase (JAK) Inhibitors for the Inhaled Treatment of Respiratory Diseases.
J.Med.Chem., 62, 2019
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8VTU
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with macrolone MCX-66, mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.40A resolution | | 分子名称: | 1-cyclopropyl-7-[(4-{[3-({(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-14-[({3-[5-(methylcarbamoyl)pyridin-3-yl]prop-2-yn-1-yl}oxy)imino]-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl}oxy)-3-oxopropyl]amino}butyl)amino]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | 著者 | Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S. | | 登録日 | 2024-01-27 | | 公開日 | 2024-08-07 | | 最終更新日 | 2025-03-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 20, 2024
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8VTV
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with macrolone MCX-91, mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.55A resolution | | 分子名称: | 1-cyclopropyl-7-{7-[({[(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-14-(methoxyimino)-3a,7,9,11,13,15-hexamethyl-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl]oxy}carbonyl)amino]hept-1-yn-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | 著者 | Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S. | | 登録日 | 2024-01-27 | | 公開日 | 2024-08-07 | | 最終更新日 | 2025-03-19 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 20, 2024
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8VTX
 | | Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with macrolone MCX-128, mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.40A resolution | | 分子名称: | 1-cyclopropyl-7-(4-{4-[({[(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-14-(methoxyimino)-3a,7,9,11,13,15-hexamethyl-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl]oxy}carbonyl)amino]butyl}piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | 著者 | Aleksandrova, E.V, Ma, C.-X, Klepacki, D, Alizadeh, F, Vazquez-Laslop, N, Liang, J.-H, Polikanov, Y.S, Mankin, A.S. | | 登録日 | 2024-01-27 | | 公開日 | 2024-08-07 | | 最終更新日 | 2025-03-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Macrolones target bacterial ribosomes and DNA gyrase and can evade resistance mechanisms.
Nat.Chem.Biol., 20, 2024
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8WHL
 | | Crystal structure of CLASP2 in complex with CENP-E | | 分子名称: | ACETATE ION, CLIP-associating protein 2, Centromere-associated protein E, ... | | 著者 | Jia, X, Wei, Z. | | 登録日 | 2023-09-23 | | 公開日 | 2024-08-28 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | CLASP-mediated competitive binding in protein condensates directs microtubule growth.
Nat Commun, 15, 2024
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6XJA
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7WTM
 | | Cryo-EM structure of a yeast pre-40S ribosomal subunit - State Dis-E | | 分子名称: | 18S rRNA, 40S ribosomal protein S1-A, 40S ribosomal protein S11-A, ... | | 著者 | Cheng, J, La Venuta, G, Lau, B, Berninghausen, O, Beckmann, R, Hurt, E. | | 登録日 | 2022-02-05 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | In vitro structural maturation of an early stage pre-40S particle coupled with U3 snoRNA release and central pseudoknot formation.
Nucleic Acids Res., 50, 2022
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6H58
 | | Structure of a hibernating 100S ribosome reveals an inactive conformation of the ribosomal protein S1 - Full 100S Hibernating E. coli Ribosome | | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ... | | 著者 | Beckert, B, Turk, M, Czech, A, Berninghausen, O, Beckmann, R, Ignatova, Z, Plitzko, J, Wilson, D.N. | | 登録日 | 2018-07-24 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (7.9 Å) | | 主引用文献 | Structure of a hibernating 100S ribosome reveals an inactive conformation of the ribosomal protein S1.
Nat Microbiol, 3, 2018
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8VXL
 | | Crystal Structure of the External Aldimine Complex of Pyridoxal-5'-Tetrazole and (S)-4-amino-5-phenoxypentanoate with the Bacillus subtilis GabR C-terminal Effector-binding and Oligomerization Domain | | 分子名称: | (4S)-4-[(E)-({3-hydroxy-2-methyl-5-[(E)-2-(1H-tetrazol-5-yl)ethenyl]pyridin-4-yl}methylidene)amino]-5-phenoxypentanoic acid, GLYCEROL, HTH-type transcriptional regulatory protein GabR, ... | | 著者 | Kaley, N.E, Liveris, Z.J, Becker, D.P, Liu, D. | | 登録日 | 2024-02-05 | | 公開日 | 2025-01-08 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Bioisosteric replacement of pyridoxal-5'-phosphate to pyridoxal-5'-tetrazole targeting Bacillus subtilis GabR.
Protein Sci., 34, 2025
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7N6K
 | | Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RALALLPLSR | | 分子名称: | Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION | | 著者 | Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C. | | 登録日 | 2021-06-08 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7N6J
 | | Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RKQSTIALALLPLLFTPRR | | 分子名称: | Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION | | 著者 | Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C. | | 登録日 | 2021-06-08 | | 公開日 | 2021-06-23 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7N6L
 | | Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide EANQQKPLLGLFADG | | 分子名称: | Alkaline phosphatase peptide, Chaperone protein DnaK, GLYCEROL, ... | | 著者 | Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C. | | 登録日 | 2021-06-08 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
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2WPB
 | | Crystal structure of the E192N mutant of E. Coli N-acetylneuraminic acid lyase in complex with pyruvate and the inhibitor (2R,3R)-2,3,4- trihydroxy-N,N-dipropylbutanamide in space group P21 crystal form I | | 分子名称: | (2R,3R)-2,3,4-TRIHYDROXY-N,N-DIPROPYLBUTANAMIDE, N-ACETYLNEURAMINATE LYASE | | 著者 | Campeotto, I, Bolt, A.H, Harman, T.A, Trinh, C.H, Dennis, C.A, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A. | | 登録日 | 2009-08-03 | | 公開日 | 2010-08-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution.
J.Mol.Biol., 404, 2010
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6O3H
 | | Icosahedral reconstruction of the thermophilic bacteriophage P74-26 capsid | | 分子名称: | Major head protein, P74-26 Head Decoration Protein | | 著者 | Stone, N.P, Demo, G, Agnello, E, Kelch, B.A. | | 登録日 | 2019-02-26 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Principles for enhancing virus capsid capacity and stability from a thermophilic virus capsid structure.
Nat Commun, 10, 2019
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