5MRQ
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![BU of 5mrq by Molmil](/molmil-images/mine/5mrq) | Arabidopsis thaliana IspD Asp262Ala Mutant | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | 著者 | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | 登録日 | 2016-12-23 | 公開日 | 2017-07-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands. ACS Chem. Biol., 12, 2017
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7F3B
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![BU of 7f3b by Molmil](/molmil-images/mine/7f3b) | cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. | 分子名称: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL | 著者 | Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W. | 登録日 | 2021-06-16 | 公開日 | 2022-04-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates. Eur.J.Med.Chem., 228, 2022
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6I82
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![BU of 6i82 by Molmil](/molmil-images/mine/6i82) | Crystal structure of partially phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018412 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ... | 著者 | Burschowsky, D, Seewooruthun, C, Bayliss, R, Carr, M.D, Echalier, A, Jordan, A.M. | 登録日 | 2018-11-19 | 公開日 | 2020-03-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RETV804MKinase. Acs Med.Chem.Lett., 11, 2020
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4D3L
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![BU of 4d3l by Molmil](/molmil-images/mine/4d3l) | SeMet structure of a novel carbohydrate binding module from glycoside hydrolase family 9 (Cel9A) from Ruminococcus flavefaciens FD-1 in the orthorhombic form | 分子名称: | (3S)-3-HYDROXYHEPTANEDIOIC ACID, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Venditto, I, Goyal, A, Thompson, A, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | 登録日 | 2014-10-22 | 公開日 | 2016-01-20 | 最終更新日 | 2016-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition. Proc.Natl.Acad.Sci.USA, 113, 2016
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5MRO
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![BU of 5mro by Molmil](/molmil-images/mine/5mro) | Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (1) | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | 著者 | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | 登録日 | 2016-12-23 | 公開日 | 2017-07-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands. ACS Chem. Biol., 12, 2017
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5MJ7
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![BU of 5mj7 by Molmil](/molmil-images/mine/5mj7) | Structure of the C. elegans nucleoside hydrolase | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Uncharacterized protein | 著者 | Versees, W, Singh, R.K. | 登録日 | 2016-11-30 | 公開日 | 2017-03-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural and biochemical characterization of the nucleoside hydrolase from C. elegans reveals the role of two active site cysteine residues in catalysis. Protein Sci., 26, 2017
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5DJ9
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![BU of 5dj9 by Molmil](/molmil-images/mine/5dj9) | Crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49 in a complex with gabaculine | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, ... | 著者 | Filippova, E.V, Minasov, G, Flores, K, Le, H.V, Silverman, R.B, McLeod, R.L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2015-09-01 | 公開日 | 2016-10-05 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49 in a complex with gabaculine To Be Published
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5NL7
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![BU of 5nl7 by Molmil](/molmil-images/mine/5nl7) | The crystal structure of the Actin Binding Domain (ABD) of alpha actinin from Entamoeba histolytica | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Calponin homology domain protein putative | 著者 | Pinotsis, N, Djinovic-Carugo, K, Khan, M.B. | 登録日 | 2017-04-04 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin. Proc.Natl.Acad.Sci.USA, 117, 2020
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5LSW
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![BU of 5lsw by Molmil](/molmil-images/mine/5lsw) | A CAF40-binding motif facilitates recruitment of the CCR4-NOT complex to mRNAs targeted by Drosophila Roquin | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell differentiation protein RCD1 homolog, LD12033p, ... | 著者 | Sgromo, A, Raisch, T, Bawankar, P, Bhandari, D, Chen, Y, Kuzuoglu-Ozturk, D, Weichenrieder, O, Izaurralde, E. | 登録日 | 2016-09-05 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | A CAF40-binding motif facilitates recruitment of the CCR4-NOT complex to mRNAs targeted by Drosophila Roquin. Nat Commun, 8, 2017
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3HPG
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![BU of 3hpg by Molmil](/molmil-images/mine/3hpg) | |
5NA6
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![BU of 5na6 by Molmil](/molmil-images/mine/5na6) | Structure of Cys-null Se-Met DPP III from Bacteroides thetaiotaomicron | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, ... | 著者 | Sabljic, I, Luic, M. | 登録日 | 2017-02-27 | 公開日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of dipeptidyl peptidase III from the human gut symbiont Bacteroides thetaiotaomicron. PLoS ONE, 12, 2017
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5LQ7
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![BU of 5lq7 by Molmil](/molmil-images/mine/5lq7) | Salmonella effector SpvD - G161 variant | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Przydacz, M, Grabe, G.J, Holden, D.W, Hare, S.A. | 登録日 | 2016-08-16 | 公開日 | 2016-11-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence. J. Biol. Chem., 291, 2016
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4B55
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![BU of 4b55 by Molmil](/molmil-images/mine/4b55) | Crystal Structure of the Covalent Adduct Formed between Mycobacterium marinum Aryalamine N-acetyltransferase and Phenyl vinyl ketone a derivative of Piperidinols | 分子名称: | 3-hydroxy-1-phenylpropan-1-one, ARYLAMINE N-ACETYLTRANSFERASE NAT | 著者 | Abuhammad, A, Fullam, E, Lowe, E.D, Staunton, D, Kawamura, A, Westwood, I.M, Bhakta, S, Garner, A.C, Wilson, D.L, Seden, P.T, Davies, S.G, Russell, A.J, Garman, E.F, Sim, E. | 登録日 | 2012-08-02 | 公開日 | 2013-01-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Piperidinols that Show Anti-Tubercular Activity as Inhibitors of Arylamine N-Acetyltransferase: An Essential Enzyme for Mycobacterial Survival Inside Macrophages. Plos One, 7, 2012
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7JO3
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![BU of 7jo3 by Molmil](/molmil-images/mine/7jo3) | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pivalamide | 分子名称: | 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Andring, J.T, McKenna, R. | 登録日 | 2020-08-05 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.454 Å) | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
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7JO0
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![BU of 7jo0 by Molmil](/molmil-images/mine/7jo0) | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide | 分子名称: | Carbonic anhydrase 2, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, ZINC ION | 著者 | Andring, J.T, McKenna, R. | 登録日 | 2020-08-05 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.607 Å) | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
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2Y4K
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![BU of 2y4k by Molmil](/molmil-images/mine/2y4k) | MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH MG-GDP | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FORMIC ACID, ... | 著者 | Nielsen, M.M, Suits, M.D.L, Yang, M, Barry, C.S, Martinez-Fleites, C, Tailford, L.E, Flint, J.E, Davis, B.G, Davies, G.J, Gilbert, H.J. | 登録日 | 2011-01-07 | 公開日 | 2011-02-02 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase. J.Biol.Chem., 286, 2011
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6ERZ
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![BU of 6erz by Molmil](/molmil-images/mine/6erz) | The crystal structure of mouse chloride intracellular channel protein 6 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Chloride intracellular channel protein 6, SULFATE ION | 著者 | Ferofontov, A, Giladi, M, Haitin, Y. | 登録日 | 2017-10-19 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.923 Å) | 主引用文献 | Inherent flexibility of CLIC6 revealed by crystallographic and solution studies. Sci Rep, 8, 2018
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1EAS
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![BU of 1eas by Molmil](/molmil-images/mine/1eas) | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 3. DESIGN, SYNTHESIS, X-RAY CRYSTALLOGRAPHIC ANALYSIS, AND STRUCTURE-ACTIVITY RELATIONSHIPS FOR A SERIES OF ORALLY ACTIVE 3-AMINO-6-PHENYLPYRIDIN-2-ONE TRIFLUOROMETHYL KETONES | 分子名称: | 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | 著者 | Ceccarelli, C. | 登録日 | 1994-11-22 | 公開日 | 1995-02-07 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Nonpeptidic inhibitors of human leukocyte elastase. 3. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of orally active 3-amino-6-phenylpyridin-2-one trifluoromethyl ketones. J.Med.Chem., 37, 1994
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7VPY
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![BU of 7vpy by Molmil](/molmil-images/mine/7vpy) | Crystal structure of the neutralizing nanobody P86 against SARS-CoV-2 | 分子名称: | 1,2-ETHANEDIOL, Nanobody, SULFATE ION | 著者 | Maeda, R, Fujita, J, Konishi, Y, Kazuma, Y, Yamazaki, H, Anzai, I, Yamaguchi, K, Kasai, K, Nagata, K, Yamaoka, Y, Miyakawa, K, Ryo, A, Shirakawa, K, Makino, F, Matsuura, Y, Inoue, T, Imura, A, Namba, K, Takaori-Kondo, A. | 登録日 | 2021-10-18 | 公開日 | 2022-07-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A panel of nanobodies recognizing conserved hidden clefts of all SARS-CoV-2 spike variants including Omicron. Commun Biol, 5, 2022
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6F4R
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![BU of 6f4r by Molmil](/molmil-images/mine/6f4r) | Human JMJD5 (N308C) in complex with Mn(II), NOG and RCCD1 (139-143) (complex-3) | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, JmjC domain-containing protein 5, MANGANESE (II) ION, ... | 著者 | Chowdhury, R, Islam, M.S, Schofield, C.J. | 登録日 | 2017-11-30 | 公開日 | 2018-04-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | JMJD5 is a human arginyl C-3 hydroxylase. Nat Commun, 9, 2018
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6F4O
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![BU of 6f4o by Molmil](/molmil-images/mine/6f4o) | Human JMJD5 in complex with Mn(II) and Succinate. | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, JmjC domain-containing protein 5, MANGANESE (II) ION, ... | 著者 | Chowdhury, R, Islam, M.S, Schofield, C.J. | 登録日 | 2017-11-29 | 公開日 | 2018-04-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | JMJD5 is a human arginyl C-3 hydroxylase. Nat Commun, 9, 2018
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5QII
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![BU of 5qii by Molmil](/molmil-images/mine/5qii) | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(3-(1-(4-CHLOROPHENYL)CYCLOPROPYL) -[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL)PROPAN-2-OL | 分子名称: | 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Sheriff, S. | 登録日 | 2018-07-03 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1). ACS Med Chem Lett, 9, 2018
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6EVU
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![BU of 6evu by Molmil](/molmil-images/mine/6evu) | Adhesin domain of PrgB from Enterococcus faecalis | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, PrgB | 著者 | Schmitt, A, Berntsson, R.P.A. | 登録日 | 2017-11-02 | 公開日 | 2018-05-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.598 Å) | 主引用文献 | PrgB promotes aggregation, biofilm formation, and conjugation through DNA binding and compaction. Mol. Microbiol., 109, 2018
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6FKV
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![BU of 6fkv by Molmil](/molmil-images/mine/6fkv) | Structure and function of aldehyde dehydrogenase from Thermus thermophilus: An enzyme with an evolutionarily-distinct C-terminal arm (Recombinant protein with shortened C-terminal, ADH508) | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aldehyde dehydrogenase, CHLORIDE ION, ... | 著者 | Hayes, K.A, Noor, M.R, Djeghader, A, Soulimane, T. | 登録日 | 2018-01-24 | 公開日 | 2018-09-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The quaternary structure of Thermus thermophilus aldehyde dehydrogenase is stabilized by an evolutionary distinct C-terminal arm extension. Sci Rep, 8, 2018
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2WHM
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![BU of 2whm by Molmil](/molmil-images/mine/2whm) | Cellvibrio japonicus Man26A E121A and E320G double mutant in complex with mannobiose | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-1,4-BETA MANNANASE, MAN26A, ... | 著者 | Durcos, V.M.A, Davies, G.J, Flint, J.E, Gilbert, H.J. | 登録日 | 2009-05-05 | 公開日 | 2009-05-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates. Biochemistry, 48, 2009
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