5IEG
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![BU of 5ieg by Molmil](/molmil-images/mine/5ieg) | Murine endoplasmic reticulum alpha-glucosidase II with N-9'-methoxynonyl-1-deoxynojirimycin. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | Deposit date: | 2016-02-25 | Release date: | 2016-07-27 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.822 Å) | Cite: | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals. Proc.Natl.Acad.Sci.USA, 113, 2016
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5LZ5
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![BU of 5lz5 by Molmil](/molmil-images/mine/5lz5) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | Descriptor: | 2-fluoranyl-5-[2-[(4~{S})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | Authors: | Woolford, A.J.A, Day, P.J. | Deposit date: | 2016-09-29 | Release date: | 2016-12-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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6ZP3
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![BU of 6zp3 by Molmil](/molmil-images/mine/6zp3) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 2-Methylindole-3-acetic acid | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid, CALCIUM ION, ... | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | Deposit date: | 2020-07-08 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments. Acs Infect Dis., 7, 2021
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6A92
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![BU of 6a92 by Molmil](/molmil-images/mine/6a92) | Crystal structure of a cyclase Filc1 from Fischerella sp. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-07-11 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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1F4Z
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![BU of 1f4z by Molmil](/molmil-images/mine/1f4z) | BACTERIORHODOPSIN-M PHOTOINTERMEDIATE STATE OF THE E204Q MUTANT AT 1.8 ANGSTROM RESOLUTION | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN, ... | Authors: | Luecke, H, Schobert, B, Cartailler, J.P, Richter, H.T, Rosengarth, A, Needleman, R, Lanyi, J.K. | Deposit date: | 2000-06-10 | Release date: | 2000-08-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Coupling photoisomerization of retinal to directional transport in bacteriorhodopsin. J.Mol.Biol., 300, 2000
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6ZOA
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![BU of 6zoa by Molmil](/molmil-images/mine/6zoa) | Partially induced AcrB T protomer and DDM binding to the TM8/PC2 pathway of AcrB L2 protomer | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DARPIN, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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5M2G
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![BU of 5m2g by Molmil](/molmil-images/mine/5m2g) | PCE reductive dehalogenase from S. multivorans in complex with 2,4,6-tribromophenol | Descriptor: | 2,4,6-TRIBROMOPHENOL, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-12 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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6ISR
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![BU of 6isr by Molmil](/molmil-images/mine/6isr) | structure of lipase mutant with Cys-His-Asp catalytic triad | Descriptor: | DI(HYDROXYETHYL)ETHER, Lipase B, NICKEL (II) ION, ... | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | Deposit date: | 2018-11-18 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution. Nat Commun, 10, 2019
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6O8V
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![BU of 6o8v by Molmil](/molmil-images/mine/6o8v) | |
7DHW
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![BU of 7dhw by Molmil](/molmil-images/mine/7dhw) | Crystal structure of myosin-XI motor domain in complex with ADP-ALF4 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Suzuki, K, Haraguchi, T, Tamanaha, M, Yoshimura, K, Imi, T, Tominaga, M, Sakayama, H, Nishiyama, T, Ito, K, Murata, T. | Deposit date: | 2020-11-17 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Discovery of ultrafast myosin, its amino acid sequence, and structural features. Proc.Natl.Acad.Sci.USA, 119, 2022
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5LGS
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![BU of 5lgs by Molmil](/molmil-images/mine/5lgs) | Crystal structure of mouse CARM1 in complex with ligand P2C3u | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, ... | Authors: | Marechal, N, Troffer-Charlier, N, Cura, V, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-07-08 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Transition state mimics are valuable mechanistic probes for structural studies with the arginine methyltransferase CARM1. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6I5D
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![BU of 6i5d by Molmil](/molmil-images/mine/6i5d) | Crystal structure of an OXA-48 beta-lactamase synthetic mutant | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Zavala, A, Retailleau, P, Dabos, L, Naas, T, Iorga, B. | Deposit date: | 2018-11-13 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Substrate specificity of an OXA-48 beta-lactamase synthetic mutant To be published
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5LD8
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![BU of 5ld8 by Molmil](/molmil-images/mine/5ld8) | |
7D0M
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![BU of 7d0m by Molmil](/molmil-images/mine/7d0m) | Crystal structure of mouse CRY1 with bound cryoprotectant | Descriptor: | Cryptochrome-1, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL | Authors: | Miller, S.A, Aikawa, Y, Hirota, T. | Deposit date: | 2020-09-11 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural differences in the FAD-binding pockets and lid loops of mammalian CRY1 and CRY2 for isoform-selective regulation. Proc.Natl.Acad.Sci.USA, 118, 2021
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1F50
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![BU of 1f50 by Molmil](/molmil-images/mine/1f50) | BACTERIORHODOPSIN-BR STATE OF THE E204Q MUTANT AT 1.7 ANGSTROM RESOLUTION | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN, ... | Authors: | Luecke, H, Schobert, B, Cartailler, J.P, Richter, H.T, Rosengarth, A, Needleman, R, Lanyi, J.K. | Deposit date: | 2000-06-10 | Release date: | 2000-08-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Coupling photoisomerization of retinal to directional transport in bacteriorhodopsin. J.Mol.Biol., 300, 2000
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6PIB
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![BU of 6pib by Molmil](/molmil-images/mine/6pib) | Structure of the Klebsiella pneumoniae LpxH-AZ1 complex | Descriptor: | 1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, TETRAETHYLENE GLYCOL, ... | Authors: | Cho, J, Zhou, P. | Deposit date: | 2019-06-26 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics. Proc.Natl.Acad.Sci.USA, 117, 2020
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5I4D
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![BU of 5i4d by Molmil](/molmil-images/mine/5i4d) | 1.75 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose, Superantigen-like protein, ... | Authors: | Minasov, G, Nocadello, S, Shuvalova, L, Filippova, E.V, Halavaty, A, Dubrovska, I, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-02-11 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 1.75 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX. To Be Published
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6OZP
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![BU of 6ozp by Molmil](/molmil-images/mine/6ozp) | |
6S00
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![BU of 6s00 by Molmil](/molmil-images/mine/6s00) | Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with N-acetylneuraminic acid | Descriptor: | GLYCEROL, N-acetyl-beta-neuraminic acid, TETRAETHYLENE GLYCOL, ... | Authors: | Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J. | Deposit date: | 2019-06-13 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action. Nat Commun, 10, 2019
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6TY7
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![BU of 6ty7 by Molmil](/molmil-images/mine/6ty7) | Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-1 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Markova, K, Chaloupkova, R, Damborsky, J, Marek, M. | Deposit date: | 2020-01-15 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers Acs Catalysis, 11, 2021
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5I75
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![BU of 5i75 by Molmil](/molmil-images/mine/5i75) | X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site and Br-citalopram at the allosteric site | Descriptor: | (1S)-1-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile, (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Coleman, J.A, Green, E.M, Gouaux, E. | Deposit date: | 2016-02-16 | Release date: | 2016-04-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | X-ray structures and mechanism of the human serotonin transporter. Nature, 532, 2016
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6S0E
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![BU of 6s0e by Molmil](/molmil-images/mine/6s0e) | Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with N-Acetyl-2,3-dehydro-2-deoxyneuraminic acid | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, ACETATE ION, ... | Authors: | Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J. | Deposit date: | 2019-06-14 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action. Nat Commun, 10, 2019
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2ZYO
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![BU of 2zyo by Molmil](/molmil-images/mine/2zyo) | Crystal structure of cyclo/maltodextrin-binding protein complexed with maltotetraose | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, solute-binding protein | Authors: | Matsumoto, M, Yamada, M, Kurakata, Y, Yoshida, H, Kamitori, S, Nishikawa, A, Tonozuka, T. | Deposit date: | 2009-01-27 | Release date: | 2009-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structures of open and closed forms of cyclo/maltodextrin-binding protein Febs J., 276, 2009
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6S3H
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![BU of 6s3h by Molmil](/molmil-images/mine/6s3h) | Crystal structure of helicase Pif1 from Thermus oshimai in complex with ADP-AlF4 and (dT)7ds11bp | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ... | Authors: | Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G. | Deposit date: | 2019-06-25 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition. Nucleic Acids Res., 49, 2021
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5M6Q
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![BU of 5m6q by Molmil](/molmil-images/mine/5m6q) | Crystal Structure of Kutzneria albida transglutaminase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, TETRAETHYLENE GLYCOL, ... | Authors: | Steffen, W, Benz, J, Rudolph, M.G. | Deposit date: | 2016-10-25 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of a microbial transglutaminase enabling highly site-specific labeling of proteins. J. Biol. Chem., 292, 2017
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