6V6D
 
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3O8G
 | | EthR from Mycobacterium tuberculosis in complex with compound BDM14801 | | 分子名称: | 1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR | | 著者 | Willand, N, Desroses, M, Toto, P, Diri, B, Lens, Z, Villeret, V, Rucktooa, P, Locht, C, Baulard, A, Deprez, B. | | 登録日 | 2010-08-03 | | 公開日 | 2010-09-01 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Exploring drug target flexibility using in situ click chemistry: application to a mycobacterial transcriptional regulator.
Acs Chem.Biol., 5, 2010
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8S4B
 | | CdaA-C08 complex | | 分子名称: | (4-methoxycarbonylphenyl)methylazanium, Diadenylate cyclase | | 著者 | Neumann, P, Ficner, R. | | 登録日 | 2024-02-21 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | CdaA-C08 complex
To Be Published
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8S46
 | | CdaA-E01 complex | | 分子名称: | 2-chlorobenzyl carbamimidothioate, Diadenylate cyclase, SODIUM ION | | 著者 | Neumann, P, Ficner, R. | | 登録日 | 2024-02-21 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | CdaA-E01 complex
To Be Published
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4LG5
 | | ABA-mimicking ligand QUINABACTIN in complex with ABA receptor PYL2 and PP2C HAB1 | | 分子名称: | Abscisic acid receptor PYL2, MAGNESIUM ION, Protein phosphatase 2C 16, ... | | 著者 | Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E. | | 登録日 | 2013-06-27 | | 公開日 | 2013-08-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
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4LGA
 | | ABA-mimicking ligand N-(2-OXO-1-PROPYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-PHENYLMETHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1 | | 分子名称: | Abscisic acid receptor PYL2, MAGNESIUM ION, N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide, ... | | 著者 | Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E. | | 登録日 | 2013-06-27 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
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8S4C
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4Q0D
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP, methotrexate and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid. | | 分子名称: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ... | | 著者 | Kumar, V.P, Anderson, K.S. | | 登録日 | 2014-04-01 | | 公開日 | 2014-10-15 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.449 Å) | | 主引用文献 | Structural studies provide clues for analog design of specific inhibitors of Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase.
Bioorg.Med.Chem.Lett., 24, 2014
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6EVB
 | | Structure of E282Q A. niger Fdc1 with prFMN in the iminium form | | 分子名称: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | | 著者 | Bailey, S.S, Leys, D, Payne, K.A.P. | | 登録日 | 2017-11-01 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
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6H5J
 | | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 4 | | 分子名称: | (3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | | 著者 | Otero, J.M, Maneiro, M, Lence, E, Sanz-Gaitero, M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2018-07-24 | | 公開日 | 2019-07-24 | | 最終更新日 | 2019-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme.
Org Chem Front, 6, 2019
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8RQG
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8STC
 | | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zinc and soaked with bicarbonate. | | 分子名称: | MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase, ZINC ION | | 著者 | Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P. | | 登録日 | 2023-05-09 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zinc and soaked with bicarbonate.
To be published
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6EV5
 | | Crystal structure of E282Q A. niger Fdc1 with prFMN in the hydroxylated form | | 分子名称: | Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ... | | 著者 | Bailey, S.S, Leys, D, Payne, K.A.P. | | 登録日 | 2017-11-01 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
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6H0D
 | | Metal soaked Flv1 flavodiiron core from Synechocystis sp. PCC6803 | | 分子名称: | CHLORIDE ION, Putative diflavin flavoprotein A 3, SULFATE ION | | 著者 | Borges, P.T, Romao, C.V, Saraiva, L, Goncalves, V.L, Carrondo, M.A, Teixeira, M, Frazao, C. | | 登録日 | 2018-07-08 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.598 Å) | | 主引用文献 | Analysis of a new flavodiiron core structural arrangement in Flv1-Delta FlR protein from Synechocystis sp. PCC6803.
J. Struct. Biol., 205, 2019
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6EVD
 | | Structure of R173A A. niger Fdc1 with prFMN in the hydroxylated form | | 分子名称: | Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ... | | 著者 | Bailey, S.S, David, L, Payne, K.A.P. | | 登録日 | 2017-11-01 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
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6GYX
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5EXO
 | | Crystal structure of Human galectin-3 CRD in complex with methyl 2-O-acetyl-3-O-(2H-chromene-3-yl-methyl)-a-D-galactopyranoside inhibitor | | 分子名称: | CHLORIDE ION, Galectin-3, [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate | | 著者 | Collins, P.M, Blanchard, H. | | 登録日 | 2015-11-23 | | 公開日 | 2016-10-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.502 Å) | | 主引用文献 | A Selective Galactose-Coumarin-Derived Galectin-3 Inhibitor Demonstrates Involvement of Galectin-3-glycan Interactions in a Pulmonary Fibrosis Model.
J.Med.Chem., 59, 2016
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3FEI
 | | Design and biological evaluation of novel, balanced dual PPARa/g agonists | | 分子名称: | (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peptide motif 5 of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha | | 著者 | Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M, Schlatter, D. | | 登録日 | 2008-11-30 | | 公開日 | 2009-10-20 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
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4I47
 | | Crystal structure of the Ribosome inactivating protein complexed with methylated guanine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, rRNA N-glycosidase | | 著者 | Yamini, S, Kushwaha, G.S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2012-11-27 | | 公開日 | 2012-12-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | First structural evidence of sequestration of mRNA cap structures by type 1 ribosome inactivating protein from Momordica balsamina.
Proteins, 81, 2013
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2XRC
 | | Human complement factor I | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HUMAN COMPLEMENT FACTOR I | | 著者 | Roversi, P, Johnson, S, Lea, S.M. | | 登録日 | 2010-09-13 | | 公開日 | 2011-07-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Structural Basis for Complement Factor I Control and its Disease-Associated Sequence Polymorphisms.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4Q1J
 | | Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-branching | | 分子名称: | 1,2-ETHANEDIOL, Polyketide biosynthesis enoyl-CoA isomerase PksI, SODIUM ION | | 著者 | Nair, A.V, Race, P.R, Till, M. | | 登録日 | 2014-04-03 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-methyl branch incorporation.
Sci Rep, 10, 2020
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6VHA
 | | Singlet Tau Fibril from Corticobasal Degeneration Human Brain Tissue | | 分子名称: | Microtubule-associated protein tau | | 著者 | Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P. | | 登録日 | 2020-01-09 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains.
Cell, 180, 2020
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6MBX
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3O41
 | | Crystal Structure of 101F Fab Bound to 15-mer Peptide Epitope | | 分子名称: | Fusion glycoprotein F1, Mouse monoclonal antibody 101F Fab heavy chain, Mouse monoclonal antibody 101F Fab light chain, ... | | 著者 | McLellan, J.S, Chen, M, Chang, J.S, Yang, Y, Kim, A, Graham, B.S, Kwong, P.D. | | 登録日 | 2010-07-26 | | 公開日 | 2010-10-13 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure of a Major Antigenic Site on the Respiratory Syncytial Virus Fusion Glycoprotein in Complex with Neutralizing Antibody 101F.
J.Virol., 84, 2010
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6VBZ
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