7O8U
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![BU of 7o8u by Molmil](/molmil-images/mine/7o8u) | NmHR light state structure at 45 ms (40 - 50 ms) after photoexcitation determined by serial millisecond crystallography | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Chloride pumping rhodopsin, ... | Authors: | Mous, S, Gotthard, G, Ehrenberg, D, Sen, S, James, D, Johnson, P, Weinert, T, Nass, K, Furrer, A, Kekilli, D, Ma, P, Bruenle, S, Casadei, C, Martiel, I, Dworkowski, F, Gashi, D, Skopintsev, P, Wranik, M, Knopp, G, Panepucci, E, Panneels, V, Cirelli, C, Ozerov, D, Schertler, G, Wang, M, Milne, C, Standfuss, J, Schapiro, I, Heberle, J, Nogly, P. | Deposit date: | 2021-04-15 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dynamics and mechanism of a light-driven chloride pump. Science, 375, 2022
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8TTY
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![BU of 8tty by Molmil](/molmil-images/mine/8tty) | Crystal structure of monkey TLR7 ectodomain with compound 5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine, ... | Authors: | Critton, D.A. | Deposit date: | 2023-08-15 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology. Acs Med.Chem.Lett., 15, 2024
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6PF6
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![BU of 6pf6 by Molmil](/molmil-images/mine/6pf6) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)terephthalic acid | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid, Thymidylate synthase,Thymidylate synthase | Authors: | Czyzyk, D.L, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2019-06-21 | Release date: | 2019-10-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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5MZO
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![BU of 5mzo by Molmil](/molmil-images/mine/5mzo) | UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum (open conformation) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N. | Deposit date: | 2017-02-01 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.48 Å) | Cite: | Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6MQE
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6MQS
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5N2J
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![BU of 5n2j by Molmil](/molmil-images/mine/5n2j) | UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum (closed form) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N. | Deposit date: | 2017-02-07 | Release date: | 2017-07-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7QNQ
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![BU of 7qnq by Molmil](/molmil-images/mine/7qnq) | Structure of the Aux2 relaxosome protein of plasmid pLS20 | Descriptor: | Auxiliary relaxosome protein, CHLORIDE ION, MAGNESIUM ION | Authors: | Boer, D.R, Crespo, I. | Deposit date: | 2021-12-22 | Release date: | 2022-03-09 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural and biochemical characterization of the relaxosome auxiliary proteins encoded on the Bacillus subtilis plasmid pLS20. Comput Struct Biotechnol J, 20, 2022
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6PI1
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6PRY
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![BU of 6pry by Molmil](/molmil-images/mine/6pry) | X-ray crystal structure of the blue-light absorbing state of PixJ from Thermosynechococcus elongatus by serial femtosecond crystallographic analysis | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Burgie, E.S, Clinger, J.A, Miller, M.D, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M, Kern, J.F. | Deposit date: | 2019-07-12 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Photoreversible interconversion of a phytochrome photosensory module in the crystalline state. Proc.Natl.Acad.Sci.USA, 117, 2020
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6N9F
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![BU of 6n9f by Molmil](/molmil-images/mine/6n9f) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with a short substrate mimic ACCA-DPhe and bound to mRNA and P-site tRNA at 3.7A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S19, ... | Authors: | Melnikov, S.V, Khabibullina, N.F, Mairhofer, E, Vargas-Rodriguez, O, Reynolds, N.M, Micura, R, Soll, D, Polikanov, Y.S. | Deposit date: | 2018-12-03 | Release date: | 2018-12-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Mechanistic insights into the slow peptide bond formation with D-amino acids in the ribosomal active site. Nucleic Acids Res., 47, 2019
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8FLH
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![BU of 8flh by Molmil](/molmil-images/mine/8flh) | Bruton's tyrosine kinase in complex with an orthosteric inhibitor | Descriptor: | 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2022-12-21 | Release date: | 2023-03-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model. Bioorg.Med.Chem.Lett., 80, 2023
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5M3V
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![BU of 5m3v by Molmil](/molmil-images/mine/5m3v) | BEAT Fc | Descriptor: | Ig gamma-1 chain C region, Ig gamma-1 chain C region,Ig gamma-3 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Skegro, D, Stutz, C, Bourquin, F, Blein, S. | Deposit date: | 2016-10-17 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Immunoglobulin domain interface exchange as a platform technology for the generation of Fc heterodimers and bispecific antibodies. J. Biol. Chem., 292, 2017
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7QEO
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![BU of 7qeo by Molmil](/molmil-images/mine/7qeo) | human Connexin 26 at 55mm Hg PCO2, pH7.4: two masked subunits, class C | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | Authors: | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | Deposit date: | 2021-12-03 | Release date: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Conformational changes and CO 2 -induced channel gating in connexin26. Structure, 30, 2022
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7QES
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![BU of 7qes by Molmil](/molmil-images/mine/7qes) | human Connexin 26 at 55mm Hg PCO2, pH7.4: two masked subunits, class A | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | Authors: | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | Deposit date: | 2021-12-03 | Release date: | 2022-06-15 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Conformational changes and CO 2 -induced channel gating in connexin26. Structure, 30, 2022
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8FLG
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![BU of 8flg by Molmil](/molmil-images/mine/8flg) | Bruton's tyrosine kinase in complex with an orthosteric inhibitor | Descriptor: | DIMETHYL SULFOXIDE, N~2~-(3-chlorophenyl)-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]glycinamide, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2022-12-21 | Release date: | 2023-03-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model. Bioorg.Med.Chem.Lett., 80, 2023
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6PBV
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![BU of 6pbv by Molmil](/molmil-images/mine/6pbv) | Crystal structure of Fab668 complex | Descriptor: | 1,2-ETHANEDIOL, Fab668 heavy chain, Fab668 light chain, ... | Authors: | Oyen, D, Wilson, I.A. | Deposit date: | 2019-06-14 | Release date: | 2020-03-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.566 Å) | Cite: | Structure and mechanism of monoclonal antibody binding to the junctional epitope of Plasmodium falciparum circumsporozoite protein. Plos Pathog., 16, 2020
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6ZN1
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![BU of 6zn1 by Molmil](/molmil-images/mine/6zn1) | Trehalose transferase bound to alpha-D-glucopyranosyl-beta-galactopyranose from Thermoproteus uzoniensis | Descriptor: | DI(HYDROXYETHYL)ETHER, THIOCYANATE ION, Trehalose phosphorylase/synthase, ... | Authors: | Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U. | Deposit date: | 2020-07-06 | Release date: | 2021-01-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars. ACS Catal, 10, 2020
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8FLV
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![BU of 8flv by Molmil](/molmil-images/mine/8flv) | Bruton's tyrosine kinase in complex with compound 34 | Descriptor: | 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2022-12-22 | Release date: | 2023-04-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model. Bioorg.Med.Chem.Lett., 80, 2023
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8DLY
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![BU of 8dly by Molmil](/molmil-images/mine/8dly) | Cryo-EM structure of SARS-CoV-2 Epsilon (B.1.429) spike protein in complex with VH ab6 (focused refinement of NTD and VH ab6) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH ab6 | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization. Nat Commun, 13, 2022
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6ZQJ
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![BU of 6zqj by Molmil](/molmil-images/mine/6zqj) | Cryo-EM structure of trimeric prME spike of Spondweni virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, prM | Authors: | Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M. | Deposit date: | 2020-07-09 | Release date: | 2021-01-20 | Last modified: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins. Nat Commun, 12, 2021
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6YJO
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![BU of 6yjo by Molmil](/molmil-images/mine/6yjo) | Structure of FgChi7B | Descriptor: | FAD-binding PCMH-type domain-containing protein, FLAVIN-ADENINE DINUCLEOTIDE, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Haddad Momeni, M, Fredslund, F, Berrin, J.G, Abou Hachem, M, Welner, D.H. | Deposit date: | 2020-04-04 | Release date: | 2021-03-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Discovery of fungal oligosaccharide-oxidising flavo-enzymes with previously unknown substrates, redox-activity profiles and interplay with LPMOs. Nat Commun, 12, 2021
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6P9Z
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6PNJ
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![BU of 6pnj by Molmil](/molmil-images/mine/6pnj) | Structure of Photosystem I Acclimated to Far-red Light | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Gisriel, C.J, Shen, G, Kurashov, V, Ho, M, Zhang, S, Williams, D, Golbeck, J.H, Fromme, P, Bryant, D.A. | Deposit date: | 2019-07-02 | Release date: | 2020-02-12 | Last modified: | 2020-02-26 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The structure of Photosystem I acclimated to far-red light illuminates an ecologically important acclimation process in photosynthesis Sci Adv, 6, 2020
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8DM0
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![BU of 8dm0 by Molmil](/molmil-images/mine/8dm0) | Cryo-EM structure of SARS-CoV-2 D614G spike protein in complex with VH ab6 (focused refinement of NTD and VH ab6) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH ab6 | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S. | Deposit date: | 2022-07-08 | Release date: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization. Nat Commun, 13, 2022
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