3IS3
 
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7PIN
 | | Stacked compact Dunaliella PSII | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ... | | Authors: | Caspy, I, Fadeeva, M, Mazor, Y, Nelson, N. | | Deposit date: | 2021-08-22 | | Release date: | 2022-08-17 | | Last modified: | 2023-03-01 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of Dunaliella Photosystem II reveals conformational flexibility of stacked and unstacked supercomplexes.
Elife, 12, 2023
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6GJG
 | | Plasmodium falciparum dihydroorotate dehydrogenase DHODH in complex with 3,6-dimethyl-N-(4-(trifluoromethyl)phenyl)-(1,2)oxazolo(5,4-d)pyrimidin-4-amine | | Descriptor: | 3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Rowland, P. | | Deposit date: | 2018-05-16 | | Release date: | 2018-09-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Isoxazolopyrimidine-Based Inhibitors ofPlasmodium falciparumDihydroorotate Dehydrogenase with Antimalarial Activity.
ACS Omega, 3, 2018
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6F22
 | | Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative) | | Descriptor: | (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | Deposit date: | 2017-11-23 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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4M49
 | | Lactate Dehydrogenase A in complex with a substituted pyrazine inhibitor compound 18 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-(5-amino-6-{[(1R)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2013-08-06 | | Release date: | 2013-09-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.052 Å) | | Cite: | Identification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 23, 2013
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6AC2
 | | Crystal Structure of HEWL at pH 2.2 | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | Authors: | Seyedarabi, A, Seraj, Z. | | Deposit date: | 2018-07-24 | | Release date: | 2019-07-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Cinnamaldehyde and Phenyl Ethyl Alcohol promote the entrapment of intermediate species of HEWL, as revealed by structural, kinetics and thermal stability studies.
Sci Rep, 9, 2019
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3ITD
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2RK6
 | | Structure of E163K DJ-1 | | Descriptor: | Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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6GLT
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7PIW
 | | Stacked stretched Dunaliella PSII | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ... | | Authors: | Caspy, I, Fadeeva, M, Mazor, Y, Nelson, N. | | Deposit date: | 2021-08-23 | | Release date: | 2022-08-17 | | Last modified: | 2023-03-01 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structure of Dunaliella Photosystem II reveals conformational flexibility of stacked and unstacked supercomplexes.
Elife, 12, 2023
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6ACH
 | | Structure of NAD+-bound leucine dehydrogenase from Geobacillus stearothermophilus by cryo-EM | | Descriptor: | Leucine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Yamaguchi, H, Kamegawa, A, Nakata, K, Kashiwagi, T, Mizukoshi, T, Fujiyoshi, Y, Tani, K. | | Deposit date: | 2018-07-26 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into thermostabilization of leucine dehydrogenase from its atomic structure by cryo-electron microscopy
J. Struct. Biol., 205, 2019
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6EZH
 | | Torpedo californica AChE in complex with indolic multi-target directed ligand | | Descriptor: | 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | Santoni, G, Lalut, J, Karila, D, Lecoutey, C, Davis, A, Nachon, F, Sillman, I, Sussman, J, Weik, M, Maurice, T, Dallemagne, P, Rochais, C. | | Deposit date: | 2017-11-15 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase.
Eur J Med Chem, 162, 2018
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5YE7
 | | The crystal structure of Lp-PLA2 in complex with a novel inhibitor | | Descriptor: | N-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION | | Authors: | Liu, Q.F, Xu, Y.C. | | Deposit date: | 2017-09-15 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.312 Å) | | Cite: | Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
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6AFE
 | | DJ-1 with compound 7 | | Descriptor: | 7-(trifluoromethyl)-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | | Deposit date: | 2018-08-08 | | Release date: | 2018-08-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
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7W8A
 | | Babesia orientalis lactate dehydrogenase, BoLDH apo | | Descriptor: | lactate dehydrogenase | | Authors: | Yu, L. | | Deposit date: | 2021-12-07 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.671 Å) | | Cite: | The Structural Basis of Babesia orientalis Lactate Dehydrogenase.
Front Cell Infect Microbiol, 11, 2021
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7W1G
 | | Crystal structure of YfiH with C107A mutation in complex with UDP-MurNAc-L-Serine | | Descriptor: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, (2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoyl]amino]-3-oxidanyl-propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Lee, S.H, Hsieh, K.Y, Lee, M.S, Chang, C.I. | | Deposit date: | 2021-11-19 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural Basis for the Peptidoglycan-Editing Activity of YfiH.
Mbio, 13, 2021
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6F2I
 | | Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | Authors: | Engilberge, S, Riobe, F, DI Pietro, S, Girard, E, Dumont, E, Maury, O. | | Deposit date: | 2017-11-24 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
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4MM0
 | | Crystal Structure Analysis of the Putative Thioether Synthase SgvP Involved in the Tailoring Step of Griseoviridin | | Descriptor: | P450-like monooxygenase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zhang, H, Huang, L, Yi, M, Cai, T, Zhang, H. | | Deposit date: | 2013-09-07 | | Release date: | 2014-09-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Analysis of SgvP: a Putative Thioether Synthase Involved in the Tailoring Step of Griseoviridin
To be Published
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2IGM
 | | Crystal structure of recombinant pyranose 2-oxidase H548N mutant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Pyranose oxidase | | Authors: | Divne, C. | | Deposit date: | 2006-09-22 | | Release date: | 2006-10-10 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for substrate binding and regioselective oxidation of monosaccharides at c3 by pyranose 2-oxidase.
J.Biol.Chem., 281, 2006
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5Y3X
 | | Crystal structure of endo-1,4-beta-xylanase from Caldicellulosiruptor owensensis | | Descriptor: | Beta-xylanase | | Authors: | Liu, X, Sun, L.C, Zhang, Y.B, Liu, T.F, Xin, F.J. | | Deposit date: | 2017-07-31 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Insights into the Thermophilic Adaption Mechanism of Endo-1,4-beta-Xylanase from Caldicellulosiruptor owensensis.
J. Agric. Food Chem., 66, 2018
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6AF9
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6F9Y
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6AHH
 | | Crystal Structure of HEWL in complex with Phenylethyl alcohol (in the aroma form) after 5 hours under fibrillation conditions | | Descriptor: | 2-PHENYL-ETHANOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Seraj, Z, Seyedarabi, A. | | Deposit date: | 2018-08-18 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cinnamaldehyde and Phenyl Ethyl Alcohol promote the entrapment of intermediate species of HEWL, as revealed by structural, kinetics and thermal stability studies.
Sci Rep, 9, 2019
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3I9V
 | | Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 2 mol/ASU | | Descriptor: | CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Sazanov, L.A, Berrisford, J.M. | | Deposit date: | 2009-07-13 | | Release date: | 2009-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for the mechanism of respiratory complex I
J.Biol.Chem., 284, 2009
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4Q41
 | | Crystal structure of Schistosoma mansoni arginase in complex with L-lysine | | Descriptor: | Arginase, GLYCEROL, LYSINE, ... | | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | | Deposit date: | 2014-04-12 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014
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