3CG8
 
 | | Laccase from Streptomyces coelicolor | | 分子名称: | COPPER (II) ION, OXYGEN ATOM, TETRAETHYLENE GLYCOL, ... | | 著者 | Skalova, T, Dohnalek, J, Ostergaard, L.H, Ostergaard, P.R, Kolenko, P, Duskova, J, Hasek, J. | | 登録日 | 2008-03-05 | | 公開日 | 2009-01-06 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.679 Å) | | 主引用文献 | The Structure of the Small Laccase from Streptomyces coelicolor Reveals a Link between Laccases and Nitrite Reductases.
J.Mol.Biol., 385, 2009
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4JBF
 | | Crystal structure of peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469. | | 分子名称: | Peptidoglycan glycosyltransferase, TETRAETHYLENE GLYCOL | | 著者 | Filippova, E.V, Wawrzak, Z, Minasov, G, Shuvalova, L, Kiryukhina, O, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | 登録日 | 2013-02-19 | | 公開日 | 2013-03-20 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Crystal structure of peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469.
To be Published
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5SAH
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with EN300-100112 | | 分子名称: | 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one, Uridylate-specific endoribonuclease | | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | 登録日 | 2021-05-19 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
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5S7Q
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010944a | | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, 5-methyl-1H-tetrazole, ... | | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | | 登録日 | 2020-12-11 | | 公開日 | 2021-06-23 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | XChem group deposition
To Be Published
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2QM9
 | | Troglitazone Bound to Fatty Acid Binding Protein 4 | | 分子名称: | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Fatty acid-binding protein, adipocyte, ... | | 著者 | Gillilan, R.E, Ayers, S.D, Noy, N. | | 登録日 | 2007-07-14 | | 公開日 | 2007-10-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Structural Basis for Activation of Fatty Acid-binding Protein 4
J.Mol.Biol., 372, 2007
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3A0U
 | | Crystal structure of response regulator protein TrrA (TM1360) from Thermotoga maritima in complex with Mg(2+)-BeF (wild type) | | 分子名称: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Response regulator, ... | | 著者 | Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y. | | 登録日 | 2009-03-24 | | 公開日 | 2009-10-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Structure of PAS-linked histidine kinase and the response regulator complex
Structure, 17, 2009
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3A10
 | | Crystal structure of response regulator protein TrrA (TM1360) from Thermotoga maritima in complex with Mg(2+)-BeF (SeMet, L89M) | | 分子名称: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Response regulator, ... | | 著者 | Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y. | | 登録日 | 2009-03-25 | | 公開日 | 2009-10-20 | | 最終更新日 | 2021-11-10 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Structure of PAS-linked histidine kinase and the response regulator complex
Structure, 17, 2009
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5S5L
 | | Tubulin-Z1492796719-complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | | 登録日 | 2020-11-08 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Comprehensive Analysis of Binding Sites in Tubulin.
Angew.Chem.Int.Ed.Engl., 60, 2021
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5S64
 | | Tubulin-Z28870646-complex | | 分子名称: | (2S)-1-ACETYL-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | | 登録日 | 2020-11-08 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Comprehensive Analysis of Binding Sites in Tubulin.
Angew.Chem.Int.Ed.Engl., 60, 2021
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5RK1
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1507502062 | | 分子名称: | 6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, PH-interacting protein | | 著者 | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | | 登録日 | 2020-06-02 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.271 Å) | | 主引用文献 | PanDDA analysis group deposition of ground-state model
To Be Published
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4B83
 | | Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino- ethyl)-3-methoxy-benzenesulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | | 著者 | Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A. | | 登録日 | 2012-08-24 | | 公開日 | 2013-09-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
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4I3Y
 | | Crystal structure of Staphylococcal inositol monophosphatase-1: 100 mM LiCl soaked inhibitory complex | | 分子名称: | GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ... | | 著者 | Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K. | | 登録日 | 2012-11-26 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Febs J., 281, 2014
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4I5R
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3EF0
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3EMJ
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5RKD
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z2168282707 | | 分子名称: | (6S)-1-methyl-4,5,6,7-tetrahydro-1H-benzotriazole-6-carboxylic acid, PH-interacting protein | | 著者 | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | | 登録日 | 2020-06-02 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.237 Å) | | 主引用文献 | PanDDA analysis group deposition of ground-state model
To Be Published
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3GWR
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2R4U
 | | Crystal Structure of Wild-type E.coli GS in complex with ADP and Glucose(wtGSd) | | 分子名称: | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Sheng, F, Geiger, J. | | 登録日 | 2007-09-01 | | 公開日 | 2008-09-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.367 Å) | | 主引用文献 | The crystal structures of the open and catalytically competent closed conformation of Escherichia coli glycogen synthase.
J.Biol.Chem., 284, 2009
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3WLL
 | | Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme EXO1 in complex with PEG400 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[beta-D-xylopyranose-(1-2)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, ... | | 著者 | Streltsov, V.A, Hrmova, M. | | 登録日 | 2013-11-12 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
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5SAP
 | | Endothiapepsin in complex with compound FU58-2 | | 分子名称: | (8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide, 1,2-ETHANEDIOL, Endothiapepsin, ... | | 著者 | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | | 登録日 | 2021-05-28 | | 公開日 | 2021-09-01 | | 最終更新日 | 2021-09-29 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
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4JM2
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5SDE
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1619978933 | | 分子名称: | 5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | | 登録日 | 2022-01-20 | | 公開日 | 2022-02-09 | | 実験手法 | X-RAY DIFFRACTION (1.854 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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4B3V
 | | Crystal structure of the Rubella virus glycoprotein E1 in its post-fusion form crystallized in presence of 20mM of Calcium Acetate | | 分子名称: | 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | 著者 | Vaney, M.C, DuBois, R.M, Tortorici, M.A, Rey, F.A. | | 登録日 | 2012-07-26 | | 公開日 | 2013-01-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Functional and Evolutionary Insight from the Crystal Structure of Rubella Virus Protein E1.
Nature, 493, 2013
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3H41
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5SDP
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2277255954 | | 分子名称: | 5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | | 登録日 | 2022-01-20 | | 公開日 | 2022-02-09 | | 実験手法 | X-RAY DIFFRACTION (2.195 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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