8D8Q
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![BU of 8d8q by Molmil](/molmil-images/mine/8d8q) | SARS-CoV-2 Spike RBD in complex with DMAbs 2130 and 2196 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2130 heavy chain, 2130 light chain, ... | Authors: | Du, J, Cui, J, Pallesen, J. | Deposit date: | 2022-06-08 | Release date: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2. Nat Commun, 13, 2022
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8PX1
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![BU of 8px1 by Molmil](/molmil-images/mine/8px1) | Structure of salmonella effector SseK3, solved at wavelength 2.75 A | Descriptor: | Non-LEE encoded effector protein NleB | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C.M, Esposito, D, Rittinger, K, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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7TEH
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![BU of 7teh by Molmil](/molmil-images/mine/7teh) | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-05 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7TFR
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![BU of 7tfr by Molmil](/molmil-images/mine/7tfr) | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with NBH-2 | Descriptor: | (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-07 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7TDU
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![BU of 7tdu by Molmil](/molmil-images/mine/7tdu) | Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-03 | Release date: | 2022-03-02 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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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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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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8PX4
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![BU of 8px4 by Molmil](/molmil-images/mine/8px4) | Structure of the PAS domain code by the LIC_11128 gene from Leptospira interrogans serovar Copenhageni Fiocruz, solved at wavelength 3.09 A | Descriptor: | Diguanylate cyclase | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Guzzo, C.R, Owens, R.J, Wagner, A. | Deposit date: | 2023-07-22 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 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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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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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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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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8PZ5
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![BU of 8pz5 by Molmil](/molmil-images/mine/8pz5) | Structure of ThcOx, solved at wavelength 3.099 A | Descriptor: | FLAVIN MONONUCLEOTIDE, SagB-type dehydrogenase domain protein | Authors: | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A. | Deposit date: | 2023-07-27 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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7SQ1
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![BU of 7sq1 by Molmil](/molmil-images/mine/7sq1) | BG505.MD39TS Env trimer in complex with Fab from antibody C05 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C05 Fab Light chain, ... | Authors: | Moore, A, Du, J, Xu, Z, Walker, S, Kulp, D.W, Pallesen, J. | Deposit date: | 2021-11-04 | Release date: | 2022-06-22 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Induction of tier-2 neutralizing antibodies in mice with a DNA-encoded HIV envelope native like trimer. Nat Commun, 13, 2022
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4DCQ
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![BU of 4dcq by Molmil](/molmil-images/mine/4dcq) | Crystal Structure of the Fab Fragment of 3B5H10, an Antibody-Specific for Extended Polyglutamine Repeats (orthorhombic form) | Descriptor: | 1,2-ETHANEDIOL, 3B5H10 FAB Heavy Chain, 3B5H10 FAB Light Chain | Authors: | Peters-Libeu, C.A, Tran, T, Finkbeiner, S, Weisgraber, K. | Deposit date: | 2012-01-18 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Disease-associated polyglutamine stretches in monomeric huntingtin adopt a compact structure. J.Mol.Biol., 421, 2012
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3FWQ
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![BU of 3fwq by Molmil](/molmil-images/mine/3fwq) | Inactive conformation of human protein kinase CK2 catalytic subunit | Descriptor: | CHLORIDE ION, Casein kinase II subunit alpha, GLYCEROL, ... | Authors: | Niefind, K, Raaf, J, Issinger, O.G. | Deposit date: | 2009-01-19 | Release date: | 2009-02-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | First inactive conformation of CK2 alpha, the catalytic subunit of protein kinase CK2 J.Mol.Biol., 386, 2009
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4RSG
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![BU of 4rsg by Molmil](/molmil-images/mine/4rsg) | Neutron crystal structure of Ras bound to the GTP analogue GppNHp | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Knihtila, R.R, Holzapfel, G, Weiss, K.L, Meilleur, F, Mattos, C. | Deposit date: | 2014-11-07 | Release date: | 2015-11-04 | Last modified: | 2024-02-28 | Method: | NEUTRON DIFFRACTION (1.907 Å) | Cite: | Neutron Crystal Structure of RAS GTPase Puts in Question the Protonation State of the GTP gamma-Phosphate. J.Biol.Chem., 290, 2015
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4XQD
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![BU of 4xqd by Molmil](/molmil-images/mine/4xqd) | X-ray structure analysis of xylanase-WT at pH4.0 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-19 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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4FBX
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![BU of 4fbx by Molmil](/molmil-images/mine/4fbx) | Complex structure of human protein kinase CK2 catalytic subunit crystallized in the presence of a bisubstrate inhibitor | Descriptor: | CHLORIDE ION, Casein kinase II subunit alpha, bisubstrate inhibitor | Authors: | Enkvist, E, Viht, K, Bischoff, N, Vahter, J, Saaver, S, Raidaru, G, Issinger, O.-G, Niefind, K, Uri, A. | Deposit date: | 2012-05-23 | Release date: | 2012-10-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | A subnanomolar fluorescent probe for protein kinase CK2 interaction studies. Org.Biomol.Chem., 10, 2012
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4XQW
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![BU of 4xqw by Molmil](/molmil-images/mine/4xqw) | X-ray structure analysis of xylanase-N44E with MES at pH6.0 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-20 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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8ADD
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![BU of 8add by Molmil](/molmil-images/mine/8add) | Viral tegument-like DUBs | Descriptor: | ATP-dependent DNA helicase | Authors: | Erven, I, Abraham, E.T, Hermanns, T, Hofmann, K, Baumann, U. | Deposit date: | 2022-07-08 | Release date: | 2023-02-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A widely distributed family of eukaryotic and bacterial deubiquitinases related to herpesviral large tegument proteins. Nat Commun, 13, 2022
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5IRC
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![BU of 5irc by Molmil](/molmil-images/mine/5irc) | p190A GAP domain complex with RhoA | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Derewenda, U, Derewenda, Z. | Deposit date: | 2016-03-12 | Release date: | 2016-08-17 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Deciphering the Molecular and Functional Basis of RHOGAP Family Proteins: A SYSTEMATIC APPROACH TOWARD SELECTIVE INACTIVATION OF RHO FAMILY PROTEINS. J.Biol.Chem., 291, 2016
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