5MMV
| Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) | Descriptor: | (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | Deposit date: | 2016-12-12 | Release date: | 2017-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) To Be Published
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7E3N
| Crystal structure of Isocitrate dehydrogenase D252N mutant from Trypanosoma brucei in complexed with NADP+, alpha-ketoglutarate, and ca2+ | Descriptor: | CALCIUM ION, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP], ... | Authors: | Arai, N, Shiba, T, Inaoka, D.K, Kita, K, Wang, X, Otani, M, Matsushiro, S, Kojima, C. | Deposit date: | 2021-02-09 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Isocitrate dehydrogenase from Trypanosoma brucei. To Be Published
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3I73
| Structural characterization for the nucleotide binding ability of subunit A with ADP of the A1AO ATP synthase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, A-TYPE ATP SYNTHASE CATALYTIC SUBUNIT A, ... | Authors: | Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Gruber, G. | Deposit date: | 2009-07-08 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nucleotide binding states of subunit A of the A-ATP synthase and the implication of P-loop switch in evolution. J.Mol.Biol., 396, 2010
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306D
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5MOT
| Crystal structure of CK2alpha with ZT0627 bound | Descriptor: | 4-HYDROXYBENZAMIDE, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2016-12-14 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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5MP1
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5MVN
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5MPJ
| 1-(2-chloro-[1,1'-biphenyl]-4-yl)-N-methylethanamine | Descriptor: | (3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2016-12-16 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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5CKX
| Non-covalent complex of DAHP synthase and chorismate mutase from Mycobacterium tuberculosis with bound transition state analog and feedback effectors tyrosine and phenylalanine | Descriptor: | 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Munack, S, Okvist, M, Krengel, U. | Deposit date: | 2015-07-15 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Remote Control by Inter-Enzyme Allostery: A Novel Paradigm for Regulation of the Shikimate Pathway. J.Mol.Biol., 428, 2016
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5MXC
| Aleuria aurantia lectin (AAL) N224Q mutant in complex with alpha-methyl-L-fucoside | Descriptor: | Fucose-specific lectin, GLYCEROL, methyl alpha-L-fucopyranoside | Authors: | Houser, J, Kozmon, S, Romano, P.R, Wimmerova, M. | Deposit date: | 2017-01-22 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Influence of Trp flipping on carbohydrate binding in lectins. An example on Aleuria aurantia lectin AAL. PLoS ONE, 12, 2017
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2M8A
| 2'F-ANA/2'F-RNA alternated sequences | Descriptor: | 2'F-RNA/2'F-ANA chimeric duplex | Authors: | Martin-Pintado, N, Deleavey, G, Portella, G, Campos, R, Orozco, M, Damha, M, Gonzalez, C. | Deposit date: | 2013-05-14 | Release date: | 2013-11-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Backbone FCHO Hydrogen Bonds in 2'F-Substituted Nucleic Acids. Angew.Chem.Int.Ed.Engl., 52, 2013
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5MY0
| KS-MAT DI-DOMAIN OF MOUSE FAS WITH MALONYL-COA | Descriptor: | COENZYME A, Fatty acid synthase, MALONYL-COENZYME A | Authors: | Paithankar, K.S, Rittner, A, Huu, K.V, Grininger, M. | Deposit date: | 2017-01-25 | Release date: | 2018-01-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Characterization of the Polyspecific Transferase of Murine Type I Fatty Acid Synthase (FAS) and Implications for Polyketide Synthase (PKS) Engineering. ACS Chem. Biol., 13, 2018
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5MXF
| Photorhabdus asymbiotica lectin (PHL) in complex with alpha-methyl fucoside | Descriptor: | CHLORIDE ION, Photorhabdus asymbiotica lectin PHL, SODIUM ION, ... | Authors: | Jancarikova, G, Houser, J, Demo, G, Wimmerova, M. | Deposit date: | 2017-01-23 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of novel bangle lectin from Photorhabdus asymbiotica with dual sugar-binding specificity and its effect on host immunity. PLoS Pathog., 13, 2017
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7E73
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7EMM
| Crystal structure of IrCp* immobilized apo-R52H-rHLFr | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | Authors: | Taher, M, Maity, B, Nakane, T, Abe, S, Ueno, T, Mazumdar, S. | Deposit date: | 2021-04-14 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Controlled Uptake of an Iridium Complex inside Engineered apo-Ferritin Nanocages: Study of Structure and Catalysis. Angew.Chem.Int.Ed.Engl., 61, 2022
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5MS4
| Kallikrein-related peptidase 8 leupeptin inhibitor complex | Descriptor: | CALCIUM ION, Kallikrein-8, LEUPEPTIN, ... | Authors: | Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P. | Deposit date: | 2016-12-30 | Release date: | 2018-01-17 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural determinants of specificity and regulation of activity in the allosteric loop network of human KLK8/neuropsin. Sci Rep, 8, 2018
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2MGW
| Solution Structure of the UBA Domain of Human NBR1 | Descriptor: | Next to BRCA1 gene 1 protein | Authors: | Walinda, E, Morimoto, D, Sugase, K, Komatsu, M, Tochio, H, Shirakawa, M. | Deposit date: | 2013-11-09 | Release date: | 2014-04-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the ubiquitin-associated (UBA) domain of human autophagy receptor NBR1 and its interaction with ubiquitin and polyubiquitin. J.Biol.Chem., 289, 2014
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5MY2
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7EML
| Structure of IrCp* immobilized apo-D38H-rHLFr | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | Authors: | Taher, M, Maity, B, Nakane, T, Abe, S, Ueno, T, Mazumdar, S. | Deposit date: | 2021-04-14 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Controlled Uptake of an Iridium Complex inside Engineered apo-Ferritin Nanocages: Study of Structure and Catalysis. Angew.Chem.Int.Ed.Engl., 61, 2022
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7E75
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4YKF
| Crystal Structure of the Alkylhydroperoxide Reductase subunit F (AhpF) with NADH from Escherichia coli | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alkyl hydroperoxide reductase subunit F, CADMIUM ION, ... | Authors: | Kamariah, N, Manimekalai, M.S.S, Gruber, G, Eisenhaber, F, Eisenhaber, B. | Deposit date: | 2015-03-04 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystallographic and solution studies of NAD(+)- and NADH-bound alkylhydroperoxide reductase subunit F (AhpF) from Escherichia coli provide insight into sequential enzymatic steps Biochim.Biophys.Acta, 1847, 2015
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5BZ9
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7E9U
| Trehalase of Arabidopsis thaliana | Descriptor: | GLYCEROL, PHOSPHATE ION, SODIUM ION, ... | Authors: | Taguchi, Y, Saburi, W, Yu, J, Imai, R, Yao, M, Mori, H. | Deposit date: | 2021-03-05 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | pH-dependent alteration of substrate specificity of plant trehalase and its molecular mechanism To Be Published
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7E9X
| Trehalase of Arabidopsis thaliana acid mutant -D380A | Descriptor: | GLYCEROL, Trehalase | Authors: | Taguchi, Y, Saburi, W, Yu, J, Imai, R, Yao, M, Mori, H. | Deposit date: | 2021-03-05 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | pH-dependent alteration of substrate specificity of plant trehalase and its molecular mechanism To Be Published
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5MWJ
| Structure Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1 | Descriptor: | DIMETHYL SULFOXIDE, Transducin-like enhancer protein 1, pepide inhibtor | Authors: | McGrath, S, Tortorici, M, Vidler, L, Drouin, L, Westwood, I, Gimeson, P, Van Montfort, R, Hoelder, S. | Deposit date: | 2017-01-18 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure-Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1. Chemistry, 23, 2017
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