5AL2
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![BU of 5al2 by Molmil](/molmil-images/mine/5al2) | Crystal structure of TNKS2 in complex with 2-(4-(propan-2-yl)phenyl)- 1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | 分子名称: | (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Lehtio, L. | 登録日 | 2015-03-06 | 公開日 | 2015-07-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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2JH7
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![BU of 2jh7 by Molmil](/molmil-images/mine/2jh7) | Crystal structure of Toxoplasma gondii micronemal protein 1 bound to 6'-sialyl-N-acetyllactosamine | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | 著者 | Blumenschein, T.M.A, Friedrich, N, Childs, R.A, Saouros, S, Carpenter, E.P, Campanero-Rhodes, M.A, Simpson, P, Koutroukides, T, Blackman, M.J, Feizi, T, Soldati-Favre, D, Matthews, S. | 登録日 | 2007-02-20 | 公開日 | 2007-05-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Atomic Resolution Insight Into Host Cell Recognition by Toxoplasma Gondii. Embo J., 26, 2007
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4YPS
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![BU of 4yps by Molmil](/molmil-images/mine/4yps) | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | 分子名称: | 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION | 著者 | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | 登録日 | 2015-03-13 | 公開日 | 2015-06-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.1012 Å) | 主引用文献 | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
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2JH1
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![BU of 2jh1 by Molmil](/molmil-images/mine/2jh1) | Crystal structure of Toxoplasma gondii micronemal protein 1 | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | 著者 | Blumenschein, T.M.A, Friedrich, N, Childs, R.A, Saouros, S, Carpenter, E.P, Campanero-Rhodes, M.A, Simpson, P, Koutroukides, T, Blackman, M.J, Feizi, T, Soldati-Favre, D, Matthews, S. | 登録日 | 2007-02-19 | 公開日 | 2007-05-22 | 最終更新日 | 2019-01-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Atomic Resolution Insight Into Host Cell Recognition by Toxoplasma Gondii. Embo J., 26, 2007
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6ISU
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![BU of 6isu by Molmil](/molmil-images/mine/6isu) | Crystal structure of Lys27-linked di-ubiquitin in complex with its selective interacting protein UCHL3 | 分子名称: | Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L3 | 著者 | Ding, S, Pan, M, Zheng, Q, Ren, Y, Hong, D. | 登録日 | 2018-11-19 | 公開日 | 2019-02-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.866 Å) | 主引用文献 | Chemical Protein Synthesis Enabled Mechanistic Studies on the Molecular Recognition of K27-linked Ubiquitin Chains. Angew. Chem. Int. Ed. Engl., 58, 2019
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7OTR
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![BU of 7otr by Molmil](/molmil-images/mine/7otr) | Crystal structure of a psychrophilic CCA-adding enzyme determined by SAD phasing | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CCA-adding protein, ... | 著者 | Rollet, K, de Wijn, R, Rios-Santacruz, R, Hennig, O, Betat, H, Moerl, M, Sauter, C. | 登録日 | 2021-06-10 | 公開日 | 2021-11-03 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | CCA-addition in the cold: Structural characterization of the psychrophilic CCA-adding enzyme from the permafrost bacterium Planococcus halocryophilus . Comput Struct Biotechnol J, 19, 2021
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6WQ9
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![BU of 6wq9 by Molmil](/molmil-images/mine/6wq9) | Carbonic Anhydrase II Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | 登録日 | 2020-04-28 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.305 Å) | 主引用文献 | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
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6WQ8
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![BU of 6wq8 by Molmil](/molmil-images/mine/6wq8) | Carbonic Anhydrase II Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | 登録日 | 2020-04-28 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.405 Å) | 主引用文献 | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
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6GJD
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![BU of 6gjd by Molmil](/molmil-images/mine/6gjd) | Erk2 signalling protein | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 1, ... | 著者 | O'Reilly, M. | 登録日 | 2018-05-16 | 公開日 | 2019-01-02 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Quantitation of ERK1/2 inhibitor cellular target occupancies with a reversible slow off-rate probe. Chem Sci, 9, 2018
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6UUP
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![BU of 6uup by Molmil](/molmil-images/mine/6uup) | Structure of anti-hCD33 conditional scFv | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-CD33 conditional scFv, DI(HYDROXYETHYL)ETHER, ... | 著者 | Kimberlin, C.R, Park, S. | 登録日 | 2019-10-31 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.20001864 Å) | 主引用文献 | Direct control of CAR T cells through small molecule-regulated antibodies. Nat Commun, 12, 2021
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4P7B
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![BU of 4p7b by Molmil](/molmil-images/mine/4p7b) | Crystal structure of S. typhimurium peptidyl-tRNA hydrolase | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Peptidyl-tRNA hydrolase | 著者 | Vandavasi, V.G, McFeeters, R.L, Taylor-Creel, K, Coates, L, McFeeters, H. | 登録日 | 2014-03-26 | 公開日 | 2014-07-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Recombinant production, crystallization and X-ray crystallographic structure determination of peptidyl-tRNA hydrolase from Salmonella typhimurium. Acta Crystallogr.,Sect.F, 70, 2014
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4ZT8
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![BU of 4zt8 by Molmil](/molmil-images/mine/4zt8) | Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a pyrimidine base, cytosine at 1.98 A resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINOPYRIMIDIN-2(1H)-ONE, GLYCEROL, ... | 著者 | Yamini, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2015-05-14 | 公開日 | 2015-06-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate. Biochem Biophys Rep, 4, 2015
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4ZU0
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![BU of 4zu0 by Molmil](/molmil-images/mine/4zu0) | Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleotide, cytidine monophosphate at 1.80 A resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ... | 著者 | Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2015-05-15 | 公開日 | 2015-06-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate. Biochem Biophys Rep, 4, 2015
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7QSM
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![BU of 7qsm by Molmil](/molmil-images/mine/7qsm) | Bovine complex I in lipid nanodisc, Deactive-ligand (composite) | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | 著者 | Chung, I, Bridges, H.R, Hirst, J. | 登録日 | 2022-01-13 | 公開日 | 2022-05-25 | 最終更新日 | 2022-09-28 | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | 主引用文献 | Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy. Nat Commun, 13, 2022
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8DQU
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![BU of 8dqu by Molmil](/molmil-images/mine/8dqu) | Nanobody bound SARS-CoV-2 Nsp9 | 分子名称: | Nanobody, Non-structural protein 9 | 著者 | Littler, D.R, Gully, B.S, Rossjohn, J. | 登録日 | 2022-07-20 | 公開日 | 2023-02-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.45003176 Å) | 主引用文献 | Inside-out: Antibody-binding reveals potential folding hinge-points within the SARS-CoV-2 replication co-factor nsp9. Plos One, 18, 2023
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8BDW
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![BU of 8bdw by Molmil](/molmil-images/mine/8bdw) | Crystal structure of CnaB2 domain from Lactobacillus plantarum | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell surface adherence protein,collagen-binding domain, LPXTG-motif cell wall anchor, ... | 著者 | Taberman, H, Hakanpaa, J, Linder, M.B, Aranko, A.S. | 登録日 | 2022-10-20 | 公開日 | 2023-02-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Biomolecular Click Reactions Using a Minimal pH-Activated Catcher/Tag Pair for Producing Native-Sized Spider-Silk Proteins. Angew.Chem.Int.Ed.Engl., 62, 2023
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8ONV
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![BU of 8onv by Molmil](/molmil-images/mine/8onv) | KRAS-G13D in complex with BI-2493 | 分子名称: | (7~{S})-2'-azanyl-3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4~{H}-1,2-benzoxazole-7,4'-6,7-dihydro-5~{H}-1-benzothiophene]-3'-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | 著者 | Boettcher, J, Herdeis, L. | 登録日 | 2023-04-04 | 公開日 | 2023-06-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | 主引用文献 | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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4GE1
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![BU of 4ge1 by Molmil](/molmil-images/mine/4ge1) | Structure of the tryptamine complex of the amine binding protein of Rhodnius prolixus | 分子名称: | 2-(1H-INDOL-3-YL)ETHANAMINE, Biogenic amine-binding protein, GLYCEROL | 著者 | Andersen, J.F, Chang, B.W, Xu, X, Mans, B.J, Ribeiro, J.M. | 登録日 | 2012-08-01 | 公開日 | 2013-01-02 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure and ligand-binding properties of the biogenic amine-binding protein from the saliva of a blood-feeding insect vector of Trypanosoma cruzi. Acta Crystallogr.,Sect.D, 69, 2013
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1P2Q
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![BU of 1p2q by Molmil](/molmil-images/mine/1p2q) | Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Chymotrypsinogen A, Pancreatic trypsin inhibitor, ... | 著者 | Helland, R, Czapinska, H, Leiros, I, Olufsen, M, Otlewski, J, Smalaas, A.O. | 登録日 | 2003-04-15 | 公開日 | 2004-04-20 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural consequences of accommodation of four non-cognate amino acid residues in the S1 pocket of bovine trypsin and chymotrypsin. J.Mol.Biol., 333, 2003
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4TQI
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![BU of 4tqi by Molmil](/molmil-images/mine/4tqi) | Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid in a dual binding mode | 分子名称: | (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, GLYCEROL, Transthyretin | 著者 | Stura, E.A, Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E. | 登録日 | 2014-06-11 | 公開日 | 2015-06-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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4PHC
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![BU of 4phc by Molmil](/molmil-images/mine/4phc) | Crystal Structure of a human cytosolic histidyl-tRNA synthetase, histidine-bound | 分子名称: | GLYCEROL, HISTIDINE, Histidine--tRNA ligase, ... | 著者 | Koh, C.Y, Wetzel, A.B, de van der Schueren, W.J, Hol, W.G.J. | 登録日 | 2014-05-06 | 公開日 | 2014-08-27 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.844 Å) | 主引用文献 | Comparison of histidine recognition in human and trypanosomatid histidyl-tRNA synthetases. Biochimie, 106, 2014
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2JCA
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![BU of 2jca by Molmil](/molmil-images/mine/2jca) | Crystal structure of the streptomyces coelicolor holo- [Acyl-carrier-protein] Synthase (AcpS) at 2 A. | 分子名称: | GLYCEROL, HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE, SODIUM ION, ... | 著者 | Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T. | 登録日 | 2006-12-21 | 公開日 | 2007-01-30 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity. Biochemistry, 50, 2011
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4EM9
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![BU of 4em9 by Molmil](/molmil-images/mine/4em9) | Human PPAR gamma in complex with nonanoic acids | 分子名称: | 3,3',3''-phosphanetriyltripropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | 著者 | Liberato, M.V, Nascimento, A.S, Polikarpov, I. | 登録日 | 2012-04-11 | 公開日 | 2013-03-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists Plos One, 7, 2012
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2JJQ
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![BU of 2jjq by Molmil](/molmil-images/mine/2jjq) | The crystal structure of Pyrococcus abyssi tRNA (uracil-54, C5)- methyltransferase in complex with S-adenosyl-L-homocysteine | 分子名称: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, UNCHARACTERIZED RNA METHYLTRANSFERASE PYRAB10780 | 著者 | Walbott, H, Leulliot, N, Grosjean, H, Golinelli-Pimpaneau, B. | 登録日 | 2008-04-17 | 公開日 | 2008-08-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The Crystal Structure of Pyrococcus Abyssi tRNA (Uracil-54, C5)-Methyltransferase Provides Insights Into its tRNA Specificity. Nucleic Acids Res., 36, 2008
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6TER
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![BU of 6ter by Molmil](/molmil-images/mine/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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