4A9C
 
 | | Crystal structure of human SHIP2 in complex with biphenyl 2,3',4,5',6- pentakisphosphate | | Descriptor: | BIPHENYL 2,3',4,5',6-PENTAKISPHOSPHATE, PHOSPHATIDYLINOSITOL-3,4,5-TRISPHOSPHATE 5-PHOSPHATASE 2 | | Authors: | Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Graslund, S, Karlberg, T, Mills, S.J, Moche, M, Nyman, T, Persson, C, Potter, B.V.L, Schuler, H, Thorsell, A.G, Weigelt, J, Nordlund, P. | | Deposit date: | 2011-11-25 | | Release date: | 2012-05-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Synthetic Polyphosphoinositide Headgroup Surrogate in Complex with Ship2 Provides a Rationale for Drug Discovery.
Acs Chem.Biol., 7, 2012
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8SLE
 | | Cryo-EM structure of the rat TRPM5 channel in trace calcium, trace-3 | | Descriptor: | Transient receptor potential cation channel subfamily M member 5 | | Authors: | Karuppan, S, Schrag, L.G, Jara-Oseguera, A, Zubcevic, L. | | Deposit date: | 2023-04-21 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural dynamics at cytosolic interprotomer interfaces control gating of a mammalian TRPM5 channel.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8SLQ
 | | Cryo-EM structure of the rat TRPM5 channel in 2mM calcium, high-3 | | Descriptor: | Transient receptor potential cation channel subfamily M member 5 | | Authors: | Karuppan, S, Schrag, L.G, Jara-Oseguera, A, Zubcevic, L. | | Deposit date: | 2023-04-24 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structural dynamics at cytosolic interprotomer interfaces control gating of a mammalian TRPM5 channel.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8SDW
 | | Crystal structure of the non-myristoylated mutant [L8K]Arf1 in complex with a GDP analogue | | Descriptor: | ADP-ribosylation factor 1, GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Rosenberg Jr, E.M, Randazzo, P.A, Esser, L, Xia, D. | | Deposit date: | 2023-04-07 | | Release date: | 2023-06-28 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Point mutations in Arf1 reveal cooperative effects of the N-terminal extension and myristate for GTPase-activating protein catalytic activity.
Plos One, 19, 2024
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5YNB
 | | Crystal structure of MERS-CoV nsp16/nsp10 complex bound to Sinefungin | | Descriptor: | SINEFUNGIN, ZINC ION, nsp10 protein, ... | | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Chen, Y, Guo, D.Y, Fan, C.P. | | Deposit date: | 2017-10-24 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
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5YNM
 | | Crystal structure of MERS-CoV nsp16/nsp10 complex bound to SAM and m7GpppA | | Descriptor: | P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, S-ADENOSYLMETHIONINE, ZINC ION, ... | | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Guo, D.Y, Fan, C.P. | | Deposit date: | 2017-10-24 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
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1DUL
 | | STRUCTURE OF THE RIBONUCLEOPROTEIN CORE OF THE E. COLI SIGNAL RECOGNITION PARTICLE | | Descriptor: | 4.5 S RNA DOMAIN IV, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Batey, R.T, Rambo, R.P, Lucast, L, Rha, B, Doudna, J.A. | | Deposit date: | 2000-01-17 | | Release date: | 2000-02-28 | | Last modified: | 2020-10-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the ribonucleoprotein core of the signal recognition particle.
Science, 287, 2000
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4A32
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | | Descriptor: | 3,5-DICHLORO-3'-[(DIETHYLAMINO)METHYL]-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BIPHENYL-4-SULFONAMIDE, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | | Authors: | Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | Deposit date: | 2011-09-29 | | Release date: | 2011-12-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
J. Med. Chem., 55, 2012
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6GA5
 | | Bacteriorhodopsin, 3 ps state, REAL-SPACE REFINEMED AGAINST 10% EXTRAPOLATED MAP | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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6FV1
 | | Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl) | | Descriptor: | (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | Authors: | Zhang, L, Hilgenfeld, R. | | Deposit date: | 2018-02-28 | | Release date: | 2019-03-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020
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6GAF
 | | BACTERIORHODOPSIN, 590 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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1NXU
 | | CRYSTAL STRUCTURE OF E. COLI HYPOTHETICAL OXIDOREDUCTASE YIAK NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER82. | | Descriptor: | Hypothetical oxidoreductase yiaK, SULFATE ION | | Authors: | Forouhar, F, Lee, I, Benach, J, Kulkarni, K, Xiao, R, Acton, T.B, Shastry, R, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-02-11 | | Release date: | 2003-03-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Novel NAD-binding Protein Revealed by the Crystal Structure of 2,3-Diketo-L-gulonate Reductase (YiaK).
J.Biol.Chem., 279, 2004
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5NIU
 | | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | | Descriptor: | (2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid, 1,2-ETHANEDIOL, Programmed cell death 1 ligand 1 | | Authors: | Zak, K.M, Grudnik, P, Skalniak, L, Dubin, G, Holak, T.A. | | Deposit date: | 2017-03-27 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells.
Oncotarget, 8, 2017
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3TEF
 | | Crystal Structure of the Periplasmic Catecholate-Siderophore Binding Protein VctP from Vibrio Cholerae | | Descriptor: | Iron(III) ABC transporter, periplasmic iron-compound-binding protein | | Authors: | Liu, X, Wang, Z, Liu, S, Li, N, Chen, Y, Zhu, C, Zhu, D, Wei, T, Huang, Y, Xu, S, Gu, L. | | Deposit date: | 2011-08-13 | | Release date: | 2012-08-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Crystal structure of periplasmic catecholate-siderophore binding protein VctP from Vibrio cholerae at 1.7 A resolution
Febs Lett., 586, 2012
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6FXA
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6GBO
 | | Crystal Structure of the oligomerization domain of Vp35 from Ebola virus | | Descriptor: | Polymerase cofactor VP35 | | Authors: | Zinzula, L, Nagy, I, Orsini, M, Weyher-Stingl, E, Baumeister, W, Bracher, A. | | Deposit date: | 2018-04-16 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of Ebola and Reston Virus VP35 Oligomerization Domains and Comparative Biophysical Characterization in All Ebolavirus Species.
Structure, 27, 2019
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5YSJ
 | | SdeA mART-C domain WT apo | | Descriptor: | Ubiquitinating/deubiquitinating enzyme SdeA | | Authors: | Kim, L, Kwon, D.H, Song, H.K. | | Deposit date: | 2017-11-14 | | Release date: | 2018-08-29 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.059 Å) | | Cite: | Structural and Biochemical Study of the Mono-ADP-Ribosyltransferase Domain of SdeA, a Ubiquitylating/Deubiquitylating Enzyme from Legionella pneumophila
J. Mol. Biol., 430, 2018
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6FPL
 | | TETR(D) E147A MUTANT IN COMPLEX WITH TETRACYCLINE AND MAGNESIUM | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, TETRACYCLINE, ... | | Authors: | Hinrichs, W, Palm, G.J, Berndt, L, Girbardt, B. | | Deposit date: | 2018-02-11 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Thermodynamics, cooperativity and stability of the tetracycline repressor (TetR) upon tetracycline binding.
Biochim Biophys Acta Proteins Proteom, 1868, 2020
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8SL8
 | | Cryo-EM structure of the rat TRPM5 channel in trace calcium, trace-1 | | Descriptor: | Transient receptor potential cation channel subfamily M member 5 | | Authors: | Karuppan, S, Schrag, L.G, Jara-Oseguera, A, Zubcevic, L. | | Deposit date: | 2023-04-21 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural dynamics at cytosolic interprotomer interfaces control gating of a mammalian TRPM5 channel.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8BF9
 | | Molecular view of ER membrane remodeling by the Sec61/TRAP translocon. | | Descriptor: | 60S ribosomal protein L39, Large ribosomal subunit protein eL31, Large ribosomal subunit protein eL38, ... | | Authors: | Karki, S, Javanainen, M, Tranter, D, Rehan, S, Huiskonen, J, Happonen, L, Paavilainen, V. | | Deposit date: | 2022-10-24 | | Release date: | 2023-11-01 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | Molecular view of ER membrane remodeling by the Sec61/TRAP translocon.
Embo Rep., 24, 2023
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8BI5
 | | Crystal structure of human Choline Kinase A in complex with UNC0737 | | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ... | | Authors: | Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-11-01 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of human Choline Kinase A in complex with UNC0737
To Be Published
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8BI6
 | | Crystal structure of human Choline Kinase A in complex with UNC0638 | | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ... | | Authors: | Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-11-01 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of human Choline Kinase A in complex with UNC0638
To Be Published
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5XZB
 | | Mouse cGAS bound to the inhibitor RU365 | | Descriptor: | (3R)-3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ... | | Authors: | Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M. | | Deposit date: | 2017-07-12 | | Release date: | 2017-08-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice.
Nat Commun, 8, 2017
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3SQ9
 | | Crystal Structures of the Ligand Binding Domain of a Pentameric Alpha7 Nicotinic Receptor Chimera | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuronal acetylcholine receptor subunit alpha-7, ... | | Authors: | Li, S.-X, Huang, S, Bren, N, Noridomi, K, Dellisanti, C, Sine, S, Chen, L. | | Deposit date: | 2011-07-05 | | Release date: | 2011-09-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Ligand-binding domain of an alpha 7-nicotinic receptor chimera and its complex with agonist.
Nat.Neurosci., 14, 2011
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4CDX
 | | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP12 | | Descriptor: | 1-(5-((3'-METHYL-[1,1'-BIPHENYL]-4-YL)OXY)PENTYL)-3-(, SODIUM ION, VP1, ... | | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | | Deposit date: | 2013-11-07 | | Release date: | 2014-02-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules.
Nat.Struct.Mol.Biol., 21, 2014
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