6WYD
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![BU of 6wyd by Molmil](/molmil-images/mine/6wyd) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-12 (AKA; 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyrid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | Authors: | Khan, J.A. | Deposit date: | 2020-05-12 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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5NPI
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5CYT
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![BU of 5cyt by Molmil](/molmil-images/mine/5cyt) | REFINEMENT OF MYOGLOBIN AND CYTOCHROME C | Descriptor: | CYTOCHROME C, HEME C | Authors: | Takano, T. | Deposit date: | 1988-01-14 | Release date: | 1989-07-12 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Refinement of Myoglobin and Cytochrome C Methods and Applications in Crystallographic Computing, 1984
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5LSH
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![BU of 5lsh by Molmil](/molmil-images/mine/5lsh) | human lysozyme in complex with a tetrasaccharide fragment of the O-chain of LPS from Klebsiella pneumoniae | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Zhang, R, Nifantiev, N.E, Krylov, V, Luetteke, T, Scheidig, A.J, Siebert, H.-C. | Deposit date: | 2016-08-26 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.061 Å) | Cite: | Lysozyme's lectin-like characteristics facilitates its immune defense function. Q. Rev. Biophys., 50, 2017
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8UPL
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![BU of 8upl by Molmil](/molmil-images/mine/8upl) | Cryo-EM structure of a Clockwise locked form of the Salmonella enterica Typhimurium flagellar C-ring, with C34 symmetry applied | Descriptor: | Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliM, ... | Authors: | Johnson, S, Deme, J.C, Lea, S.M. | Deposit date: | 2023-10-22 | Release date: | 2024-01-24 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (5.4 Å) | Cite: | Structural basis of directional switching by the bacterial flagellum. Nat Microbiol, 9, 2024
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6H08
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![BU of 6h08 by Molmil](/molmil-images/mine/6h08) | The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a His175Me-His proximal ligand substitution | Descriptor: | COBALT (II) ION, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Ortmayer, M, Levy, C, Green, A.P. | Deposit date: | 2018-07-06 | Release date: | 2020-02-12 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rewiring the "Push-Pull" Catalytic Machinery of a Heme Enzyme Using an Expanded Genetic Code. Acs Catalysis, 10, 2020
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4WZ5
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![BU of 4wz5 by Molmil](/molmil-images/mine/4wz5) | Crystal structure of P. aeruginosa OXA10 | Descriptor: | Beta-lactamase OXA-10, CARBON DIOXIDE, SULFATE ION, ... | Authors: | Ferguson, A.D. | Deposit date: | 2014-11-18 | Release date: | 2015-08-05 | Last modified: | 2016-09-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors. Acs Infect Dis., 1, 2015
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4YB0
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![BU of 4yb0 by Molmil](/molmil-images/mine/4yb0) | 3',3'-cGAMP riboswitch bound with c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ren, A.M, Patel, D.J, Rajashankar, R.K. | Deposit date: | 2015-02-18 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.121 Å) | Cite: | Structural Basis for Molecular Discrimination by a 3',3'-cGAMP Sensing Riboswitch. Cell Rep, 11, 2015
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7W3E
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![BU of 7w3e by Molmil](/molmil-images/mine/7w3e) | Bovine cytochrome c oxidese in CN-bound fully reduced state at 50 K | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Tsukihara, T, Shimada, A. | Deposit date: | 2021-11-25 | Release date: | 2022-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons. J.Biol.Chem., 299, 2023
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4RVM
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![BU of 4rvm by Molmil](/molmil-images/mine/4rvm) | CHK1 kinase domain with diazacarbazole compound 19 | Descriptor: | 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | Authors: | Gazzard, L, Blackwood, E, Burton, B, Chapman, K, Chen, H, Crackett, P, Drobnick, J, Ellwood, C, Epler, J, Flagella, M, Goodacre, S, Halladay, J, Hunt, H, Kintz, S, Lyssikatos, J, MacLeod, C, Ramiscal, S, Schmidt, S, Seward, E, Wiesmann, C, Williams, K, Wu, P, Yee, S, Yen, I, Malek, S. | Deposit date: | 2014-11-26 | Release date: | 2015-06-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1. J.Med.Chem., 58, 2015
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6GVY
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1GYM
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![BU of 1gym by Molmil](/molmil-images/mine/1gym) | PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C IN COMPLEX WITH GLUCOSAMINE-(ALPHA-1-6)-MYO-INOSITOL | Descriptor: | (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C | Authors: | Heinz, D.W, Ryan, M, Smith, M.P, Weaver, L.H, Keana, J.F.W, Griffith, O.H. | Deposit date: | 1996-05-02 | Release date: | 1996-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of phosphatidylinositol-specific phospholipase C from Bacillus cereus in complex with glucosaminyl(alpha 1-->6)-D-myo-inositol, an essential fragment of GPI anchors. Biochemistry, 35, 1996
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5NPJ
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8PE0
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![BU of 8pe0 by Molmil](/molmil-images/mine/8pe0) | X-ray structure of the Thermus thermophilus K167L mutant of the PilF-GSPIIB domain in the c-di-GMP bound state | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ACETATE ION, SULFATE ION, ... | Authors: | Neissner, K, Woehnert, J. | Deposit date: | 2023-06-13 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structure of the K167L mutant of PilF-GSPIIB domain in the c-di-GMP bound state To Be Published
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8UOX
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![BU of 8uox by Molmil](/molmil-images/mine/8uox) | Cryo-EM structure of a Counterclockwise locked form of the Salmonella enterica Typhimurium flagellar C-ring, with C34 symmetry applied | Descriptor: | Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliM, ... | Authors: | Johnson, S, Deme, J.C, Lea, S.M. | Deposit date: | 2023-10-20 | Release date: | 2024-01-24 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural basis of directional switching by the bacterial flagellum. Nat Microbiol, 9, 2024
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8UMD
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![BU of 8umd by Molmil](/molmil-images/mine/8umd) | Cryo-EM structure of a single subunit of a Counterclockwise-locked form of the Salmonella enterica Typhimurium flagellar C-ring. | Descriptor: | Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliM, ... | Authors: | Johnson, S, Deme, J.C, Lea, S.M. | Deposit date: | 2023-10-17 | Release date: | 2024-01-24 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of directional switching by the bacterial flagellum. Nat Microbiol, 9, 2024
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8UMX
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![BU of 8umx by Molmil](/molmil-images/mine/8umx) | Cryo-EM structure of a single subunit of a Clockwise-locked form of the Salmonella enterica Typhimurium flagellar C-ring. | Descriptor: | Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliM, ... | Authors: | Johnson, S, Deme, J.C, Lea, S.M. | Deposit date: | 2023-10-18 | Release date: | 2024-01-24 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis of directional switching by the bacterial flagellum. Nat Microbiol, 9, 2024
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1HTN
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![BU of 1htn by Molmil](/molmil-images/mine/1htn) | HUMAN TETRANECTIN, A TRIMERIC PLASMINOGEN BINDING PROTEIN WITH AN ALPHA-HELICAL COILED COIL | Descriptor: | CALCIUM ION, TETRANECTIN | Authors: | Nielsen, B.B, Kastrup, J.S, Rasmussen, H, Holtet, T.L, Graversen, J.H, Etzerodt, M, Thogersen, H.C, Larsen, I.K. | Deposit date: | 1997-05-28 | Release date: | 1997-12-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of tetranectin, a trimeric plasminogen-binding protein with an alpha-helical coiled coil. FEBS Lett., 412, 1997
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7FVS
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![BU of 7fvs by Molmil](/molmil-images/mine/7fvs) | Crystal Structure of S. aureus gyrase in complex with 4-[[1-[(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl]azetidin-3-yl]methylamino]-6-fluorochromen-2-one | Descriptor: | 4-{[(1-{[(6R)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methyl}azetidin-3-yl)methyl]amino}-6-fluoro-2H-1-benzopyran-2-one, ACETATE ION, CHLORIDE ION, ... | Authors: | Xu, B, Benz, J, Cumming, J.G, Kreis, L, Rudolph, M.G. | Deposit date: | 2023-04-18 | Release date: | 2023-06-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens. Acs Med.Chem.Lett., 14, 2023
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5X1F
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![BU of 5x1f by Molmil](/molmil-images/mine/5x1f) | CO bound cytochrome c oxidase without pump laser irradiation at 278K | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Kubo, M, Baba, S, Yamashita, K, Hirata, K, Ueno, G, Nomura, T, Kimura, T, Shinzawa-Itoh, K, Baba, J, Hatano, K, Eto, Y, Miyamoto, A, Murakami, H, Kumasaka, T, Owada, S, Tono, K, Yabashi, M, Yamaguchi, Y, Yanagisawa, S, Sakaguchi, M, Ogura, T, Komiya, R, Yan, J, Yamashita, E, Yamamoto, M, Ago, H, Yoshikawa, S, Tsukihara, T. | Deposit date: | 2017-01-25 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A nanosecond time-resolved XFEL analysis of structural changes associated with CO release from cytochrome c oxidase. Sci Adv, 3, 2017
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5TIS
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![BU of 5tis by Molmil](/molmil-images/mine/5tis) | Room temperature XFEL structure of the native, doubly-illuminated photosystem II complex | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Fuller, F, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Hussein, R, Zhang, M, Douthit, L, Kubin, M, de Lichtenberg, C, Pham, L.V, Nilsson, H, Cheah, M.H, Shevela, D, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Pastor, E, Weninger, C, Fransson, T, Lassalle, L, Braeuer, P, Aller, P, Docker, P.T, Andi, B, Orville, A.M, Glownia, J.M, Nelson, S, Sikorski, M, Zhu, D, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Watermann, D.G, Evans, G, Wernet, P, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2016-10-03 | Release date: | 2016-11-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25000381 Å) | Cite: | Structure of photosystem II and substrate binding at room temperature. Nature, 540, 2016
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7YPY
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![BU of 7ypy by Molmil](/molmil-images/mine/7ypy) | Bovine heart cytochrome c oxidase in fully oxidized state at 1.5 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Tsukihara, T. | Deposit date: | 2022-08-05 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Mg2+-containing water cluster of mammalian cytochrome c oxidase collects four pumping proton equivalents in each catalytic cycle. J. Biol. Chem., 291, 2016
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2Y69
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![BU of 2y69 by Molmil](/molmil-images/mine/2y69) | Bovine heart cytochrome c oxidase re-refined with molecular oxygen | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, CHOLIC ACID, ... | Authors: | Kaila, V.R.I, Oksanen, E, Goldman, A, Verkhovsky, M.I, Sundholm, D, Wikstrom, M. | Deposit date: | 2011-01-20 | Release date: | 2011-02-23 | Last modified: | 2019-11-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Combined Quantum Chemical and Crystallographic Study on the Oxidized Binuclear Center of Cytochrome C Oxidase. Biochim.Biophys.Acta, 1807, 2011
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7ECH
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![BU of 7ech by Molmil](/molmil-images/mine/7ech) | Crystal Structure of d(G4C2)2-K in F222 space group | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*CP*CP*GP*GP*GP*GP*CP*C)-3'), POTASSIUM ION | Authors: | Geng, Y, Liu, C, Cai, Q, Luo, Z, Zhu, G. | Deposit date: | 2021-03-12 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal structure of parallel G-quadruplex formed by the two-repeat ALS- and FTD-related GGGGCC sequence. Nucleic Acids Res., 49, 2021
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7ECG
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![BU of 7ecg by Molmil](/molmil-images/mine/7ecg) | Crystal Structure of d(G4C2)2-Ba in F222 space group | Descriptor: | BARIUM ION, DNA (5'-D(*GP*GP*GP*GP*CP*CP*GP*GP*GP*GP*CP*C)-3') | Authors: | Geng, Y, Liu, C, Cai, Q, Luo, Z, Zhu, G. | Deposit date: | 2021-03-12 | Release date: | 2021-06-09 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal structure of parallel G-quadruplex formed by the two-repeat ALS- and FTD-related GGGGCC sequence. Nucleic Acids Res., 49, 2021
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