5OSN
 
 | | Crystal Structure of Bovine Enterovirus 2 determined with Serial Femtosecond X-ray Crystallography | | Descriptor: | Capsid protein, GLUTAMIC ACID, POTASSIUM ION, ... | | Authors: | Roedig, P, Ginn, H.M, Pakendorf, T, Sutton, G, Harlos, K, Walter, T.S, Meyer, J, Fischer, P, Duman, R, Vartiainen, I, Reime, B, Warmer, M, Brewster, A.S, Young, I.D, Michels-Clark, T, Sauter, N.K, Kotecha, A, Kelly, J, Rowlands, D.J, Sikorsky, M, Nelson, S, Damiani, D.S, Alonso-Mori, R, Ren, J, Fry, E.E, David, C, Stuart, D.I, Wagner, A, Meents, A. | | Deposit date: | 2017-08-17 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | High-speed fixed-target serial virus crystallography.
Nat. Methods, 14, 2017
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4LD9
 | | Crystal structure of the N-terminally acetylated BAH domain of Sir3 bound to the nucleosome core particle | | Descriptor: | Histone H2A, Histone H2B 1.1, Histone H3.2, ... | | Authors: | Arnaudo, N, Fernandez, I.S, McLaughlin, S.H, Peak-Chew, S.Y, Rhodes, D, Martino, F. | | Deposit date: | 2013-06-24 | | Release date: | 2013-08-14 | | Last modified: | 2013-09-18 | | Method: | X-RAY DIFFRACTION (3.306 Å) | | Cite: | The N-terminal acetylation of Sir3 stabilizes its binding to the nucleosome core particle.
Nat.Struct.Mol.Biol., 20, 2013
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1TKT
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW426318 | | Descriptor: | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2004-06-09 | | Release date: | 2004-12-07 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
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1TL1
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW451211 | | Descriptor: | 6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PROPYLQUINOLIN-2(1H)-ONE, PHOSPHATE ION, Pol polyprotein, ... | | Authors: | Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2004-06-09 | | Release date: | 2004-12-07 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
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1F8T
 | | FAB (LNKB-2) OF MONOCLONAL ANTIBODY, CRYSTAL STRUCTURE | | Descriptor: | ANTIBODY FAB FRAGMENT (HEAVY CHAIN), ANTIBODY FAB FRAGMENT (LIGHT CHAIN) | | Authors: | Fokin, A.V, Afonin, P.V, Mikhailova, I.I, Tsygannik, I.N, Mareeva, T.I. | | Deposit date: | 2000-07-05 | | Release date: | 2001-07-05 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Spatial structure of a Fab-fragment of a monoclonal antibody to human interleukin-2 in two crystalline forms at a resolution of 2.2 and 2.9 angstroms
Bioorg.Khim., 26, 2000
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1F90
 | | FAB FRAGMENT OF MONOCLONAL ANTIBODY (LNKB-2) AGAINST HUMAN INTERLEUKIN-2 IN COMPLEX WITH ANTIGENIC PEPTIDE | | Descriptor: | ANTIGENIC NONAPEPTIDE, FAB FRAGMENT OF MONOCLONAL ANTIBODY | | Authors: | Afonin, P.V, Fokin, A.V, Tsigannik, I.N, Mikhailova, I.Y, Onoprienko, L.V, Mikhaleva, I.I, Ivanov, V.T, Mareeva, T.Y, Nesmeyanov, V.A, Li, N, Duax, W.L, Pletnev, V.Z. | | Deposit date: | 2000-07-06 | | Release date: | 2001-07-11 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of an anti-interleukin-2 monoclonal antibody Fab complexed with an antigenic nonapeptide.
Protein Sci., 10, 2001
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6TK1
 | | Femtosecond to millisecond structural changes in a light-driven sodium pump: 20ms structure of KR2 with extrapolated, light and dark datasets | | Descriptor: | EICOSANE, RETINAL, SODIUM ION, ... | | Authors: | Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J. | | Deposit date: | 2019-11-28 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Nature, 583, 2020
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6ZJH
 | | Trehalose transferase from Thermoproteus uzoniensis soaked with trehalose | | Descriptor: | GLYCEROL, Trehalose phosphorylase/synthase, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | | 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: | 2020-06-29 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
Acs Catalysis, 10, 2020
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6NW8
 | | SOLUTION STRUCTURE OF CN29, A TOXIN FROM CENTRUROIDES NOXIUS SCORPION VENOM | | Descriptor: | Cn29 | | Authors: | Delepierre, M, Gurrola, G.B, Possani, L.D, Guijarro, J.I. | | Deposit date: | 2019-02-06 | | Release date: | 2019-07-03 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Cn29, a novel orphan peptide found in the venom of the scorpion Centruroides noxius: Structure and function.
Toxicon, 167, 2019
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8CBD
 | | SARS-CoV-2 Delta-RBD complexed with BA.4/5-1 and EY6A Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-1 heavy chain, BA.4/5-1 light chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D.I. | | Deposit date: | 2023-01-25 | | Release date: | 2024-02-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.52 Å) | | Cite: | Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
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7YUW
 | | MtaLon-ADP for the spiral oligomers of pentamer | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease | | Authors: | Li, S, Hsieh, K, Kuo, C, Lee, S, Ho, M, Wang, C, Zhang, K, Chang, C.I. | | Deposit date: | 2022-08-18 | | Release date: | 2023-10-25 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A 5+1 assemble-to-activate mechanism of the Lon proteolytic machine.
Nat Commun, 14, 2023
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6TK5
 | | Femtosecond to millisecond structural changes in a light-driven sodium pump: 800fs+2ps structure of KR2 with extrapolated, light and dark datasets | | Descriptor: | EICOSANE, RETINAL, Sodium pumping rhodopsin | | Authors: | Skopintsev, P, Ehrenberg, D, Weinert, T, James, D, Kar, R, Johnson, P, Ozerov, D, Furrer, A, Martiel, I, Dworkowski, F, Nass, K, Knopp, G, Cirelli, C, Gashi, D, Mous, S, Wranik, M, Gruhl, T, Kekilli, D, Bruenle, S, Deupi, X, Schertler, G.F.X, Benoit, R, Panneels, V, Nogly, P, Schapiro, I, Milne, C, Heberle, J, Standfuss, J. | | Deposit date: | 2019-11-28 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Femtosecond-to-millisecond structural changes in a light-driven sodium pump.
Nature, 583, 2020
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7YUX
 | | MtaLon-ADP for the spiral oligomers of hexamer | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease | | Authors: | Li, S, Hsieh, K, Kuo, C, Lee, S, Ho, M, Wang, C, Zhang, K, Chang, C.I. | | Deposit date: | 2022-08-18 | | Release date: | 2023-10-25 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | A 5+1 assemble-to-activate mechanism of the Lon proteolytic machine.
Nat Commun, 14, 2023
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5WCK
 | | Native FEZ-1 metallo-beta-lactamase from Legionella gormanii | | Descriptor: | FEZ-1 protein, GLYCEROL, SULFATE ION, ... | | Authors: | Garcia-Saez, I, Mercuri, P.S, Kahn, R, Papamicael, C, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Frere, J.M, Galleni, M, Dideberg, O. | | Deposit date: | 2017-06-30 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Three-dimensional structure of FEZ-1, a monomeric subclass B3 metallo-beta-lactamase from Fluoribacter gormanii, in native form and in complex with D-captopril.
J. Mol. Biol., 325, 2003
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8IKR
 | | Crystal structure of DpaA | | Descriptor: | YkuD domain-containing protein | | Authors: | Wang, H.-J, Hsieh, K.-Y, Lee, S.-H, Chang, C.-I. | | Deposit date: | 2023-03-01 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for the hydrolytic activity of the transpeptidase-like protein DpaA to detach Braun's lipoprotein from peptidoglycan.
Mbio, 14, 2023
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6O3C
 | | Crystal structure of active Smoothened bound to SAG21k, cholesterol, and NbSmo8 | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide, ... | | Authors: | Deshpande, I.S, Liang, J, Hedeen, D, Roberts, K.J, Zhang, Y, Ha, B, Latorraca, N.R, Faust, B, Dror, R.O, Beachy, P.A, Myers, B.R, Manglik, A. | | Deposit date: | 2019-02-26 | | Release date: | 2019-07-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Smoothened stimulation by membrane sterols drives Hedgehog pathway activity.
Nature, 571, 2019
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1YPP
 | | ACID ANHYDRIDE HYDROLASE | | Descriptor: | INORGANIC PYROPHOSPHATASE, MANGANESE (II) ION, PHOSPHATE ION | | Authors: | Harutyunyan, E.H, Kuranova, I.P, Lamzin, V.S, Dauter, Z, Wilson, K.S. | | Deposit date: | 1996-05-29 | | Release date: | 1996-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray structure of yeast inorganic pyrophosphatase complexed with manganese and phosphate.
Eur.J.Biochem., 239, 1996
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7W1G
 | | Crystal structure of YfiH with C107A mutation in complex with UDP-MurNAc-L-Serine | | Descriptor: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, (2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoyl]amino]-3-oxidanyl-propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Lee, S.H, Hsieh, K.Y, Lee, M.S, Chang, C.I. | | Deposit date: | 2021-11-19 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural Basis for the Peptidoglycan-Editing Activity of YfiH.
Mbio, 13, 2021
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6QNO
 | | Rhodopsin-Gi protein complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab antibody fragment heavy chain, Fab antibody fragment light chain, ... | | Authors: | Tsai, C.-J, Marino, J, Adaixo, R.J, Pamula, F, Muehle, J, Maeda, S, Flock, T, Taylor, N.M.I, Mohammed, I, Matile, H, Dawson, R.J.P, Deupi, X, Stahlberg, H, Schertler, G.F.X. | | Deposit date: | 2019-02-11 | | Release date: | 2019-07-10 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.38 Å) | | Cite: | Cryo-EM structure of the rhodopsin-G alpha i-beta gamma complex reveals binding of the rhodopsin C-terminal tail to the G beta subunit.
Elife, 8, 2019
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5EW1
 | | Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT3, ... | | Authors: | Pica, A, Russo Krauss, I, Parente, V, Sica, F. | | Deposit date: | 2015-11-20 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers.
Nucleic Acids Res., 45, 2017
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8DIC
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8DIB
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8DIG
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8DIF
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8DIH
 | | Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors | | Descriptor: | (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione, 3C-like proteinase nsp5 | | Authors: | Singh, I, Shoichet, B.K. | | Deposit date: | 2022-06-29 | | Release date: | 2023-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
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