7HRM
 
 | PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z445135574 | 分子名称: | 1-benzothiophen-6-amine 1,1-dioxide, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, ... | 著者 | Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. | 登録日 | 2024-12-23 | 公開日 | 2025-08-13 | 実験手法 | X-RAY DIFFRACTION (1.829 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QJW
 
 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z198194396 | 分子名称: | 1,2-ETHANEDIOL, 4-(furan-2-carbonyl)piperazine-1-carboxamide, ADP-sugar pyrophosphatase, ... | 著者 | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | 登録日 | 2018-10-31 | 公開日 | 2018-12-19 | 最終更新日 | 2024-10-30 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QQI
 
 | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-178-994 | 分子名称: | 1,2-ETHANEDIOL, Kalirin, N-[3-(methoxymethyl)phenyl]-N'-(5-methyl-1,2-oxazol-3-yl)urea, ... | 著者 | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | 登録日 | 2019-05-03 | 公開日 | 2019-12-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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3RME
 
 | AMCase in complex with Compound 5 | 分子名称: | Acidic mammalian chitinase, GLYCEROL, N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide | 著者 | Olland, A. | 登録日 | 2011-04-20 | 公開日 | 2011-08-24 | 最終更新日 | 2024-11-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Identification and Characterization of Acidic Mammalian Chitinase Inhibitors J.Med.Chem., 53, 2010
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4L02
 
 | Crystal Structure of SphK1 with inhibitor | 分子名称: | (2R,4S)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol, Sphingosine kinase 1 | 著者 | Min, X, Walker, N, Wang, Z. | 登録日 | 2013-05-30 | 公開日 | 2013-07-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Structure guided design of a series of sphingosine kinase (SphK) inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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5QQD
 
 | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with Z56880342 | 分子名称: | 1,2-ETHANEDIOL, Kalirin, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea, ... | 著者 | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | 登録日 | 2019-05-03 | 公開日 | 2019-12-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QT2
 
 | PanDDA analysis group deposition -- Partial occupancy interpretation of PanDDA event map: SETDB1 in complex with FMOPL000074a | 分子名称: | 1,2-ETHANEDIOL, 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine, DIMETHYL SULFOXIDE, ... | 著者 | Harding, R.J, Tempel, W, DOUANGAMATH, A, BRANDAO-NETO, J, Collins, P.M, Krojer, T, Mader, P, Schapira, M, von Delft, F, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Santhakumar, V. | 登録日 | 2019-06-25 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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4BAF
 
 | Hen egg-white lysozyme structure in complex with the europium tris- hydroxyethyltriazoledipicolinate complex at 1.51 A resolution. | 分子名称: | 4-(4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ... | 著者 | Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E. | 登録日 | 2012-09-14 | 公開日 | 2012-11-14 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.507 Å) | 主引用文献 | Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination. Chem.Commun.(Camb.), 48, 2012
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3ALU
 
 | Crystal structure of CEL-IV complexed with Raffinose | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Lectin CEL-IV, ... | 著者 | Hatakeyama, T, Hozawa, T, Ishii, K, Kamiya, T, Goda, S, Kusunoki, M, Unno, H. | 登録日 | 2010-08-07 | 公開日 | 2011-01-19 | 最終更新日 | 2024-10-23 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Galactose recognition by a tetrameric C-type lectin, CEL-IV, containing the EPN carbohydrate recognition motif J.Biol.Chem., 286, 2011
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2OW6
 
 | Golgi alpha-mannosidase II complex with (1r,5s,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-5,7,8-triol chloride | 分子名称: | (1R,5S,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-5,7,8-TRIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Kuntz, D.A. | 登録日 | 2007-02-15 | 公開日 | 2008-01-08 | 最終更新日 | 2024-11-20 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Binding of sulfonium-ion analogues of di-epi-swainsonine and 8-epi-lentiginosine to Drosophila Golgi alpha-mannosidase II: The role of water in inhibitor binding. Proteins, 71, 2008
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5QTO
 
 | PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with 1R-0641 | 分子名称: | 1,2-ETHANEDIOL, 3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine, ADP-sugar pyrophosphatase, ... | 著者 | Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2019-08-14 | 公開日 | 2019-12-25 | 最終更新日 | 2024-10-30 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QTP
 
 | PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with AE-0227 | 分子名称: | 1,2-ETHANEDIOL, 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile, ADP-sugar pyrophosphatase, ... | 著者 | Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2019-08-14 | 公開日 | 2019-12-25 | 最終更新日 | 2024-10-30 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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2EQM
 
 | Solution structure of the TUDOR domain of PHD finger protein 20-like 1 [Homo sapiens] | 分子名称: | PHD finger protein 20-like 1 | 著者 | Dang, W, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Tarada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2007-03-30 | 公開日 | 2007-10-02 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the TUDOR domain of PHD finger protein 20-like 1 [Homo sapiens] To be Published
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2B4E
 
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1Q92
 
 | Crystal structure of human mitochondrial deoxyribonucleotidase in complex with the inhibitor PMcP-U | 分子名称: | 5(3)-deoxyribonucleotidase, GLYCEROL, MAGNESIUM ION, ... | 著者 | Rinaldo-Matthis, A, Rampazzo, C, Balzarini, J, Reichard, P, Bianchi, V, Nordlund, P. | 登録日 | 2003-08-22 | 公開日 | 2004-04-20 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystal structures of the mitochondrial deoxyribonucleotidase in complex with two specific inhibitors Mol.Pharmacol., 65, 2004
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5QU8
 
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4HA4
 
 | Structure of beta-glycosidase from Acidilobus saccharovorans in complex with glycerol | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Beta-galactosidase, GLYCEROL, ... | 著者 | Trofimov, A.A, Polyakov, K.M, Tikhonov, A.V, Bezsudnova, E.Y, Dorovatovskii, P.V, Gumerov, V.M, Ravin, N.V, Skryabin, K.G, Popov, V.O. | 登録日 | 2012-09-25 | 公開日 | 2012-10-10 | 最終更新日 | 2024-11-06 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Structures of beta-glycosidase from Acidilobus saccharovorans in complexes with tris and glycerol. Dokl.Biochem.Biophys., 449
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4HAW
 
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4L71
 
 | Crystal Structure of Frameshift Suppressor tRNA SufA6 Bound to Codon CCC-A on the Ribosome | 分子名称: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Maehigashi, T, Dunkle, J.A, Dunham, C.M. | 登録日 | 2013-06-13 | 公開日 | 2014-08-06 | 最終更新日 | 2024-10-30 | 実験手法 | X-RAY DIFFRACTION (3.900001 Å) | 主引用文献 | Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops. Proc.Natl.Acad.Sci.USA, 111, 2014
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4KV8
 
 | Crystal structure of HIV RT in complex with BILR0355BS | 分子名称: | 11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one, HIV Reverse transcriptase P51, HIV Reverse transcriptase P66, ... | 著者 | Coulombe, R. | 登録日 | 2013-05-22 | 公開日 | 2013-07-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | N- versus O-alkylation: Utilizing NMR methods to establish reliable primary structure determinations for drug discovery. Bioorg.Med.Chem.Lett., 23, 2013
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3RXO
 
 | Crystal structure of Trypsin complexed with (3-pyrrol-1-ylphenyl)methanamine | 分子名称: | 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, Cationic trypsin, ... | 著者 | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | 登録日 | 2011-05-10 | 公開日 | 2011-08-24 | 最終更新日 | 2024-10-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3WE8
 
 | Pim-1 kinase in complex with Ruthenium-based inhibitor | 分子名称: | Cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~C~10~,N~1~)ruthenium, SULFATE ION, Serine/threonine-protein kinase pim-1 | 著者 | Waehler, K, Kraeling, K, Steuber, H, Meggers, E. | 登録日 | 2013-07-02 | 公開日 | 2014-05-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.954 Å) | 主引用文献 | Non-ATP-Mimetic Organometallic Protein Kinase Inhibitor ChemistryOpen, 2, 2013
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5QU2
 
 | Crystal Structure of human Nck SH3.1 in complex with peptide PPPVPNPDY | 分子名称: | ACE-PRO-PRO-PRO-VAL-PRO-ASN-PRO-ASP-TYR-NH2, Cytoplasmic protein NCK1, SULFATE ION | 著者 | Rudolph, M.G. | 登録日 | 2019-12-13 | 公開日 | 2020-02-12 | 最終更新日 | 2024-10-23 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain. J.Biol.Chem., 295, 2020
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2AZA
 
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5QU7
 
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