5GN6
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![BU of 5gn6 by Molmil](/molmil-images/mine/5gn6) | Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with cumarin derivative-17b | Descriptor: | 4-butyl-7,8-bis(oxidanyl)chromen-2-one, GLYCEROL, Glycerol kinase | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K. | Deposit date: | 2016-07-19 | Release date: | 2017-07-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei. Faseb J., 33, 2019
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5C15
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5C12
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5MF2
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![BU of 5mf2 by Molmil](/molmil-images/mine/5mf2) | Bacteriophage T5 distal tail protein pb9 co-crystallized with Tb-Xo4 | Descriptor: | CHLORIDE ION, Distal tail protein, TERBIUM(III) ION, ... | Authors: | Engilberge, S, Riobe, F, Di Pietro, S, Lassalle, L, Arnaud, C.-A, Breyton, C, Madern, D, Coquelle, N, Maury, O, Girard, E. | Deposit date: | 2016-11-17 | Release date: | 2017-09-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallophore: a versatile lanthanide complex for protein crystallography combining nucleating effects, phasing properties, and luminescence. Chem Sci, 8, 2017
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5M7Y
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![BU of 5m7y by Molmil](/molmil-images/mine/5m7y) | Crystal structure of GH125 1,6-alpha-mannosidase mutant from Clostridium perfringens in complex with 1,6-alpha-mannotriose | Descriptor: | 1,6-alpha-mannosidase, MAGNESIUM ION, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose | Authors: | Males, A, Alonso-Gil, S, Fernandes, P, Williams, S.J, Rovira, C, Davies, G.J. | Deposit date: | 2016-10-28 | Release date: | 2016-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Computational Design of Experiment Unveils the Conformational Reaction Coordinate of GH125 alpha-Mannosidases. J. Am. Chem. Soc., 139, 2017
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5CAB
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![BU of 5cab by Molmil](/molmil-images/mine/5cab) | Structure of Leishmania nucleoside diphostate kinase mutant Del5-Cterm | Descriptor: | Nucleoside diphosphate kinase, SULFATE ION | Authors: | Vieira, P.S, de Giuseppe, P.O, de Oliveira, A.H.C, Murakami, M.T. | Deposit date: | 2015-06-29 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.953 Å) | Cite: | The role of the C-terminus and Kpn loop in the quaternary structure stability of nucleoside diphosphate kinase from Leishmania parasites. J.Struct.Biol., 192, 2015
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7KH6
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5C7P
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7KQF
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5KEJ
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![BU of 5kej by Molmil](/molmil-images/mine/5kej) | Crystallographic structure of the Tau class glutathione S-transferase MiGSTU in complex with S-hexyl-glutathione | Descriptor: | DI(HYDROXYETHYL)ETHER, S-HEXYLGLUTATHIONE, Tau class glutathione S-transferase | Authors: | Valenzuela-Chavira, I, Serrano-Posada, H, Lopez-Zavala, A, Hernandez-Paredes, J, Sotelo-Mundo, R. | Deposit date: | 2016-06-09 | Release date: | 2017-02-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Insights into ligand binding to a glutathione S-transferase from mango: Structure, thermodynamics and kinetics. Biochimie, 135, 2017
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8AEV
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![BU of 8aev by Molmil](/molmil-images/mine/8aev) | Human acetylcholinesterase in complex with N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium | Descriptor: | 1-(2-(2-((6-(dihydroxymethyl)-2-phenylpyrimidin-4-yl)methylene)hydrazineyl)-2-oxoethyl)pyridin-1-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nachon, F, Dias, J, Brazzolotto, X. | Deposit date: | 2022-07-13 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions. Chembiochem, 23, 2022
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8AEN
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![BU of 8aen by Molmil](/molmil-images/mine/8aen) | Human acetylcholinesterase in complex with zinc and N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Nachon, F, Dias, J, Brazzolotto, X. | Deposit date: | 2022-07-13 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions. Chembiochem, 23, 2022
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7L4D
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8ATZ
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![BU of 8atz by Molmil](/molmil-images/mine/8atz) | Crystal structure of PPAR gamma (PPARG) in complex with SA112 (compound 2). | Descriptor: | 2-[4-chloranyl-6-[[3-(2-phenylethoxy)phenyl]amino]pyrimidin-2-yl]sulfanylethanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Arifi, S, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-08-24 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation. J.Am.Chem.Soc., 145, 2023
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8ATY
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![BU of 8aty by Molmil](/molmil-images/mine/8aty) | Crystal structure of PPAR gamma (PPARG) in complex with JP85 (compound 1). | Descriptor: | 2-[4-chloranyl-6-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidin-2-yl]sulfanylethanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Pollinger, J, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-08-24 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation. J.Am.Chem.Soc., 145, 2023
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5C2F
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![BU of 5c2f by Molmil](/molmil-images/mine/5c2f) | K428A mutant nuclease domain of the large terminase subunit gp2 of bacterial virus Sf6 with Manganese and beta-thujaplicinol | Descriptor: | 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, Gene 2 protein, MANGANESE (II) ION | Authors: | Zhao, H, Tang, L. | Deposit date: | 2015-06-15 | Release date: | 2015-10-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Two distinct modes of metal ion binding in the nuclease active site of a viral DNA-packaging terminase: insight into the two-metal-ion catalytic mechanism. Nucleic Acids Res., 43, 2015
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4IQA
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5CAA
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6TKV
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![BU of 6tkv by Molmil](/molmil-images/mine/6tkv) | Crystal structure of the human FUT8 in complex with GDP and a biantennary complex N-glycan | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-(1,6)-fucosyltransferase, GLYCEROL, ... | Authors: | Garcia-Garcia, A, Ceballos-Laita, L, Serna, L, Artschwager, R, Reichardt, N.C, Corzana, F, Hurtado-Guerrero, R. | Deposit date: | 2019-11-29 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for substrate specificity and catalysis of alpha 1,6-fucosyltransferase. Nat Commun, 11, 2020
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7X7S
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![BU of 7x7s by Molmil](/molmil-images/mine/7x7s) | Solution structure of human adenylate kinase 1 (hAK1) | Descriptor: | Adenylate kinase isoenzyme 1 | Authors: | Zhang, H. | Deposit date: | 2022-03-10 | Release date: | 2022-05-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | ADP-Induced Conformational Transition of Human Adenylate Kinase 1 Is Triggered by Suppressing Internal Motion of alpha 3 alpha 4 and alpha 7 alpha 8 Fragments on the ps-ns Timescale. Biomolecules, 12, 2022
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5FWS
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![BU of 5fws by Molmil](/molmil-images/mine/5fws) | Wnt modulator Kremen crystal form I at 1.90A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, KREMEN PROTEIN 1, ... | Authors: | Zebisch, M, Jackson, V.A, Jones, E.Y. | Deposit date: | 2016-02-21 | Release date: | 2016-07-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the Dual-Mode Wnt Regulator Kremen1 and Insight Into Ternary Complex Formation with Lrp6 and Dickkopf Structure, 24, 2016
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5CE4
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![BU of 5ce4 by Molmil](/molmil-images/mine/5ce4) | High Resolution X-Ray and Neutron diffraction structure of H-FABP | Descriptor: | Fatty acid-binding protein, heart, OLEIC ACID | Authors: | Podjarny, A.D, Howard, E.I, Blakeley, M.P, Guillot, B. | Deposit date: | 2015-07-06 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION | Cite: | High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP-oleic acid complex: study of the internal water cluster and ligand binding by a transferred multipolar electron-density distribution. Iucrj, 3, 2016
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6TJP
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![BU of 6tjp by Molmil](/molmil-images/mine/6tjp) | Crystal structure of T7 bacteriophage portal protein, 13mer, closed valve - P212121 | Descriptor: | Portal protein | Authors: | Fabrega-Ferrer, M, Cuervo, A, Fernandez, F.J, Machon, C, Perez-Luque, R, Pous, J, Vega, M.C, Carrascosa, J.L, Coll, M. | Deposit date: | 2019-11-26 | Release date: | 2020-12-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.74 Å) | Cite: | Using a partial atomic model from medium-resolution cryo-EM to solve a large crystal structure. Acta Crystallogr D Struct Biol, 77, 2021
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7LKL
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![BU of 7lkl by Molmil](/molmil-images/mine/7lkl) | The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.05 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | Deposit date: | 2021-02-02 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.05 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. To be Published
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7LPF
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