8PLO
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![BU of 8plo by Molmil](/molmil-images/mine/8plo) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 25. | Descriptor: | 2-(4-methylphenyl)-N-{[(2S)-oxolan-2-yl]methyl}acetamide, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8PLR
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![BU of 8plr by Molmil](/molmil-images/mine/8plr) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 28. | Descriptor: | (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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8PLP
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![BU of 8plp by Molmil](/molmil-images/mine/8plp) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 26. | Descriptor: | (3R)-1-methylpiperidin-3-yl furan-2-carboxylate, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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6SEQ
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![BU of 6seq by Molmil](/molmil-images/mine/6seq) | Lemur tyrosine kinase 3 (LMTK3) | Descriptor: | Serine/threonine-protein kinase LMTK3 | Authors: | Roe, S.M, Owen, R. | Deposit date: | 2019-07-30 | Release date: | 2020-11-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure-function relationship of oncogenic LMTK3. Sci Adv, 6, 2020
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7OAQ
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![BU of 7oaq by Molmil](/molmil-images/mine/7oaq) | Nanobody H3 AND C1 bound to RBD with Kent mutation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ... | Authors: | Naismith, J.H, Mikolajek, H. | Deposit date: | 2021-04-20 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19. Nat Commun, 12, 2021
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7OAO
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![BU of 7oao by Molmil](/molmil-images/mine/7oao) | Nanobody C5 bound to RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ... | Authors: | Naismith, J.H, Mikolajek, H. | Deposit date: | 2021-04-19 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19. Nat Commun, 12, 2021
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7OAP
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![BU of 7oap by Molmil](/molmil-images/mine/7oap) | Nanobody H3 AND C1 bound to RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C1 nanobody, CHLORIDE ION, ... | Authors: | Naismith, J.H, Mikolajek, H. | Deposit date: | 2021-04-19 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19. Nat Commun, 12, 2021
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7OAN
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![BU of 7oan by Molmil](/molmil-images/mine/7oan) | Nanobody C5 bound to Spike | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Naismith, J.H, Weckener, M. | Deposit date: | 2021-04-19 | Release date: | 2021-08-11 | Last modified: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19. Nat Commun, 12, 2021
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7OAY
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![BU of 7oay by Molmil](/molmil-images/mine/7oay) | Nanobody F2 bound to RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 nanobody, Spike protein S1 | Authors: | Naismith, J.H, Mikolajek, H. | Deposit date: | 2021-04-20 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19. Nat Commun, 12, 2021
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7OAU
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![BU of 7oau by Molmil](/molmil-images/mine/7oau) | Nanobody C5 bound to Kent variant RBD (N501Y) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C5, GLYCEROL, ... | Authors: | Naismith, J.H, Mikolajek, H. | Deposit date: | 2021-04-20 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19. Nat Commun, 12, 2021
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7UG8
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![BU of 7ug8 by Molmil](/molmil-images/mine/7ug8) | Crystal structure of a solute receptor from Synechococcus CC9311 in complex with alpha-ketovaleric and calcium | Descriptor: | 1,2-ETHANEDIOL, 2-oxopentanoic acid, CALCIUM ION, ... | Authors: | Shah, B.S, Mikolajek, H, Orr, C.M, Mykhaylyk, V, Owens, R.J, Paulsen, I.T. | Deposit date: | 2022-03-24 | Release date: | 2023-04-19 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Crystal structure of a solute receptor from Synechococcus CC9311 in complex with alpha-ketovaleric and calcium To Be Published
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7S6E
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![BU of 7s6e by Molmil](/molmil-images/mine/7s6e) | Crystal structure of UrtA from Synechococcus CC9311 in complex with urea and calcium | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Shah, B.S, Mikolajek, H, Mykhaylyk, V, Orr, C.M, Owens, R.J, Paulsen, I.T. | Deposit date: | 2021-09-14 | Release date: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.973 Å) | Cite: | Crystal structure of UrtA from Synechococcus CC9311 in complex with urea and calcium To Be Published
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7S6F
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![BU of 7s6f by Molmil](/molmil-images/mine/7s6f) | Crystal structure of UrtA1 from Synechococcus WH8102 in complex with urea and calcium | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Putative urea ABC transporter, ... | Authors: | Shah, B.S, Mikolajek, H, Orr, C.M, Mykhaylyk, V, Owens, R.J, Paulsen, I.T. | Deposit date: | 2021-09-14 | Release date: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of UrtA1 from Synechococcus WH8102 in complex with urea and calcium To Be Published
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8PXC
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![BU of 8pxc by Molmil](/molmil-images/mine/8pxc) | Structure of Fap1, a domain of the accessory Sec-dependent serine-rich glycoprotein adhesin from Streptococcus oralis, solved at wavelength 3.06 A | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Fap1 | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Owen, C.D, Walsh, M.A, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.973 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PYV
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![BU of 8pyv by Molmil](/molmil-images/mine/8pyv) | Structure of Human PS-1 GSH-analog complex, solved at wavelength 2.755 A | Descriptor: | L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, Prostaglandin E synthase | Authors: | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G. | Deposit date: | 2023-07-26 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PX9
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![BU of 8px9 by Molmil](/molmil-images/mine/8px9) | Structure of the antibacterial peptide ABC transporter McjD, solved at wavelength 2.75 A | Descriptor: | MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bountra, K, Beis, K, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PZ4
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![BU of 8pz4 by Molmil](/molmil-images/mine/8pz4) | Structure of alginate transporter, AlgE, solved at wavelength 2.755 A | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | Authors: | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G. | Deposit date: | 2023-07-26 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PX5
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![BU of 8px5 by Molmil](/molmil-images/mine/8px5) | Structure of the RNA recognition motif (RRM) of Seb1 from S. pombe., solved at wavelength 2.75 A | Descriptor: | Rpb7-binding protein seb1 | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Wittmann, S, Renner, M, Grimes, J.M, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXJ
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![BU of 8pxj by Molmil](/molmil-images/mine/8pxj) | Structure of Whitewater Arroyo virus GP1 glycoprotein, solved at wavelength 2.75 A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Glycoprotein G1, ... | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bowden, T.A, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PX0
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![BU of 8px0 by Molmil](/molmil-images/mine/8px0) | Structure of ribonuclease A, solved at wavelength 2.75 A | Descriptor: | L-URIDINE-5'-MONOPHOSPHATE, Ribonuclease pancreatic | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Beis, K, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXL
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![BU of 8pxl by Molmil](/molmil-images/mine/8pxl) | Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 1.37 A | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, Ferredoxin reductase, ... | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXG
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![BU of 8pxg by Molmil](/molmil-images/mine/8pxg) | Structure of Streptactin, solved at wavelength 2.75 A | Descriptor: | CHLORIDE ION, GLYCEROL, Streptavidin | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Vecchia, L, Jones, E.Y, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXH
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![BU of 8pxh by Molmil](/molmil-images/mine/8pxh) | Structure of TauA from E. coli, solved at wavelength 2.375 A | Descriptor: | 2-AMINOETHANESULFONIC ACID, IODIDE ION, Taurine ABC transporter substrate-binding protein | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PWN
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![BU of 8pwn by Molmil](/molmil-images/mine/8pwn) | Structure of A2A adenosine receptor A2AR-StaR2-bRIL, solved at wavelength 2.75 A | Descriptor: | Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, OLEIC ACID, ... | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Moraes, I, Wagner, A. | Deposit date: | 2023-07-20 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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8PXK
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![BU of 8pxk by Molmil](/molmil-images/mine/8pxk) | Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 5.76 A | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin reductase | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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