4PNO
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7P24
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7A2Y
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8B34
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4MJ9
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![BU of 4mj9 by Molmil](/molmil-images/mine/4mj9) | lambda-[Ru(TAP)2(dppz-10-Me)]2+ bound to a synthetic DNA oligomer | Descriptor: | (10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+), BARIUM ION, CHLORIDE ION, ... | Authors: | Hall, J.P, Cardin, C.J. | Deposit date: | 2013-09-03 | Release date: | 2014-09-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru dppz Complexes to DNA Organometallics, 2015
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6UN2
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5XU2
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![BU of 5xu2 by Molmil](/molmil-images/mine/5xu2) | Crystal Structure of Transketolase in complex with TPP_III and fructose-6-phosphate from Pichia Stipitis | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-22 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions. Chembiochem, 19, 2018
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6RHH
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![BU of 6rhh by Molmil](/molmil-images/mine/6rhh) | Single crystal serial study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi at sub-atomic resolution. Third structure of the series with 315 KGy dose. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Laccase 2, ... | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | Deposit date: | 2019-04-20 | Release date: | 2019-05-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The subatomic resolution study of laccase inhibition by chloride and fluoride anions using single-crystal serial crystallography: insights into the enzymatic reaction mechanism. Acta Crystallogr D Struct Biol, 75, 2019
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8GEW
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![BU of 8gew by Molmil](/molmil-images/mine/8gew) | H-FABP crystal soaked in a bromo palmitic acid solution | Descriptor: | 2-Bromopalmitic acid, Fatty acid-binding protein, heart, ... | Authors: | Howard, E, Cousido-Siah, A, Alvarez, A, Espinosa, Y, Podjarny, A, Mitschler, A, Carlevaro, M. | Deposit date: | 2023-03-07 | Release date: | 2023-08-30 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Lipid exchange in crystal-confined fatty acid binding proteins: X-ray evidence and molecular dynamics explanation. Proteins, 91, 2023
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4Q4G
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4E0K
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![BU of 4e0k by Molmil](/molmil-images/mine/4e0k) | Crystal Structure of the amyloid-fibril forming peptide KDWSFY derived from human Beta 2 Microglobulin (58-63) | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Amyloidogenic peptide segment KDWSFY, SODIUM ION | Authors: | Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2012-03-04 | Release date: | 2012-12-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates. Proc.Natl.Acad.Sci.USA, 109, 2012
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6X7J
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8B97
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![BU of 8b97 by Molmil](/molmil-images/mine/8b97) | N-terminal beta-trefoil lectin domain of the Laccaria bicolor lectin in complex with N-acetyl-lactosamine | Descriptor: | Beta-trefoil domain of the LBL lectin, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Acebron, I, Campanero-Rhodes, M.A, Solis, D, Menendez, M, Garcia, C, Lillo, M.P, Mancheno, J.M. | Deposit date: | 2022-10-05 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Atomic crystal structure and sugar specificity of a beta-trefoil lectin domain from the ectomycorrhizal basidiomycete Laccaria bicolor. Int.J.Biol.Macromol., 233, 2023
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5XSM
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![BU of 5xsm by Molmil](/molmil-images/mine/5xsm) | Crystal Structure of Transketolase in complex with TPP intermediate IV from Pichia Stipitis | Descriptor: | 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-14 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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2WNA
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8GK9
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![BU of 8gk9 by Molmil](/molmil-images/mine/8gk9) | Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, LEU-AIB-ALA-AIB-LEU-CYS-GLN-AIB-LEU, ... | Authors: | Hess, S.S, Nguyen, A.I. | Deposit date: | 2023-03-17 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks. J.Am.Chem.Soc., 145, 2023
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3AKQ
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8B5M
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![BU of 8b5m by Molmil](/molmil-images/mine/8b5m) | Crystal structure of GH47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with cyclosulfamidate inhibitor | Descriptor: | (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol, CALCIUM ION, Mannosyl-oligosaccharide 1,2-alpha-mannosidase, ... | Authors: | Males, A, Davies, G.J. | Deposit date: | 2022-09-23 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | GH47 and Cyclosulfamidate To Be Published
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5XQV
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![BU of 5xqv by Molmil](/molmil-images/mine/5xqv) | Crystal structure of Notched-fin eelpout type III antifreeze protein A20L mutant (NFE6, AFP), P21 form | Descriptor: | Ice-structuring protein | Authors: | Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S. | Deposit date: | 2017-06-07 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8BJL
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3X0K
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![BU of 3x0k by Molmil](/molmil-images/mine/3x0k) | ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ES-state at 0.97 angstrom resolution | Descriptor: | ADP-ribose pyrophosphatase, GLYCEROL, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N. | Deposit date: | 2014-10-16 | Release date: | 2016-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors Biochemistry, 55, 2016
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6YIW
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4KXW
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![BU of 4kxw by Molmil](/molmil-images/mine/4kxw) | Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 2 | Descriptor: | 1,2-ETHANEDIOL, D-XYLITOL-5-PHOSPHATE, MAGNESIUM ION, ... | Authors: | Neumann, P, Luedtke, S, Ficner, R, Tittmann, K. | Deposit date: | 2013-05-28 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. Nat Chem, 5, 2013
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5TIF
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![BU of 5tif by Molmil](/molmil-images/mine/5tif) | x-ray structure of acyl-CoA thioesterase I, TesA, triple mutant M141L/Y145K/L146K in complex with octanoic acid | Descriptor: | Acyl-CoA thioesterase I, DI(HYDROXYETHYL)ETHER, OCTANOIC ACID (CAPRYLIC ACID) | Authors: | Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D. | Deposit date: | 2016-10-02 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids. ACS Catal, 7, 2017
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4R15
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![BU of 4r15 by Molmil](/molmil-images/mine/4r15) | High-resolution crystal structure of Z-DNA in complex with Cr3+ cations | Descriptor: | CHROMIUM ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3') | Authors: | Drozdzal, P, Gilski, M, Kierzek, R, Lomozik, L, Jaskolski, M. | Deposit date: | 2014-08-04 | Release date: | 2015-03-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | High-resolution crystal structure of Z-DNA in complex with Cr(3+) cations. J.Biol.Inorg.Chem., 20, 2015
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