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8PLV
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BU of 8plv by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 32.
分子名称: 1-(diphenylmethyl)azetidin-3-ol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
著者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.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PLA
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BU of 8pla by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 11.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide
著者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.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
8PLN
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BU of 8pln by Molmil
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 24.
分子名称: 6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
著者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.
登録日2023-06-27
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
7OAQ
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BU of 7oaq by Molmil
Nanobody H3 AND C1 bound to RBD with Kent mutation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAO
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BU of 7oao by Molmil
Nanobody C5 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-19
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAP
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BU of 7oap by Molmil
Nanobody H3 AND C1 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C1 nanobody, CHLORIDE ION, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-19
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAN
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BU of 7oan by Molmil
Nanobody C5 bound to Spike
分子名称: 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, ...
著者Naismith, J.H, Weckener, M.
登録日2021-04-19
公開日2021-08-11
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAY
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Nanobody F2 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 nanobody, Spike protein S1
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAU
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BU of 7oau by Molmil
Nanobody C5 bound to Kent variant RBD (N501Y)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C5, GLYCEROL, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
6SEQ
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BU of 6seq by Molmil
Lemur tyrosine kinase 3 (LMTK3)
分子名称: Serine/threonine-protein kinase LMTK3
著者Roe, S.M, Owen, R.
登録日2019-07-30
公開日2020-11-25
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure-function relationship of oncogenic LMTK3.
Sci Adv, 6, 2020
8PXC
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BU of 8pxc by Molmil
Structure of Fap1, a domain of the accessory Sec-dependent serine-rich glycoprotein adhesin from Streptococcus oralis, solved at wavelength 3.06 A
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Fap1
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Owen, C.D, Walsh, M.A, Wagner, A.
登録日2023-07-23
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PYV
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BU of 8pyv by Molmil
Structure of Human PS-1 GSH-analog complex, solved at wavelength 2.755 A
分子名称: L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, Prostaglandin E synthase
著者Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G.
登録日2023-07-26
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PX9
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BU of 8px9 by Molmil
Structure of the antibacterial peptide ABC transporter McjD, solved at wavelength 2.75 A
分子名称: MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bountra, K, Beis, K, Wagner, A.
登録日2023-07-22
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PZ4
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BU of 8pz4 by Molmil
Structure of alginate transporter, AlgE, solved at wavelength 2.755 A
分子名称: (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, ...
著者Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G.
登録日2023-07-26
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PX5
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BU of 8px5 by Molmil
Structure of the RNA recognition motif (RRM) of Seb1 from S. pombe., solved at wavelength 2.75 A
分子名称: Rpb7-binding protein seb1
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Wittmann, S, Renner, M, Grimes, J.M, Wagner, A.
登録日2023-07-22
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PXJ
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BU of 8pxj by Molmil
Structure of Whitewater Arroyo virus GP1 glycoprotein, solved at wavelength 2.75 A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Glycoprotein G1, ...
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bowden, T.A, Wagner, A.
登録日2023-07-23
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PXL
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BU of 8pxl by Molmil
Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 1.37 A
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, Ferredoxin reductase, ...
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A.
登録日2023-07-23
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PWN
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BU of 8pwn by Molmil
Structure of A2A adenosine receptor A2AR-StaR2-bRIL, solved at wavelength 2.75 A
分子名称: Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, OLEIC ACID, ...
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Moraes, I, Wagner, A.
登録日2023-07-20
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PX0
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BU of 8px0 by Molmil
Structure of ribonuclease A, solved at wavelength 2.75 A
分子名称: L-URIDINE-5'-MONOPHOSPHATE, Ribonuclease pancreatic
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Beis, K, Wagner, A.
登録日2023-07-22
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PXK
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BU of 8pxk by Molmil
Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 5.76 A
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin reductase
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A.
登録日2023-07-23
公開日2023-10-25
実験手法X-RAY DIFFRACTION (3.77 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PXG
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BU of 8pxg by Molmil
Structure of Streptactin, solved at wavelength 2.75 A
分子名称: CHLORIDE ION, GLYCEROL, Streptavidin
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Vecchia, L, Jones, E.Y, Wagner, A.
登録日2023-07-23
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PX1
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BU of 8px1 by Molmil
Structure of salmonella effector SseK3, solved at wavelength 2.75 A
分子名称: Non-LEE encoded effector protein NleB
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C.M, Esposito, D, Rittinger, K, Wagner, A.
登録日2023-07-22
公開日2023-10-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PXH
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BU of 8pxh by Molmil
Structure of TauA from E. coli, solved at wavelength 2.375 A
分子名称: 2-AMINOETHANESULFONIC ACID, IODIDE ION, Taurine ABC transporter substrate-binding protein
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A.
登録日2023-07-23
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PX7
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BU of 8px7 by Molmil
Structure of Bacterial Multidrug Efflux transporter AcrB, solved at wavelength 3.02 A
分子名称: Multidrug efflux pump subunit AcrB
著者El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A.
登録日2023-07-22
公開日2023-10-25
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PZ5
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BU of 8pz5 by Molmil
Structure of ThcOx, solved at wavelength 3.099 A
分子名称: FLAVIN MONONUCLEOTIDE, SagB-type dehydrogenase domain protein
著者Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A.
登録日2023-07-27
公開日2023-10-25
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023

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