7TL0
 
 | | Cryo-EM structure of hMPV preF bound by Fabs MPE8 and SAN32-2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, ... | | Authors: | Rush, S.A, Hsieh, C.-L, McLellan, J.S. | | Deposit date: | 2022-01-17 | | Release date: | 2022-09-14 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Characterization of prefusion-F-specific antibodies elicited by natural infection with human metapneumovirus.
Cell Rep, 40, 2022
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6TL3
 | | Crystal structure of an Estrogen Receptor alpha 8-mer phosphopeptide in complex with 14-3-3sigma stabilized by a Pyrrolidone1 derivative | | Descriptor: | 14-3-3 protein sigma, 5-[(2~{S},3~{R})-3-[(~{R})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid, Estrogen receptor | | Authors: | Andrei, S.A, Bosica, F, Ottmann, C, O'Mahony, G. | | Deposit date: | 2019-11-30 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.455 Å) | | Cite: | Design of Drug-Like Protein-Protein Interaction Stabilizers Guided By Chelation-Controlled Bioactive Conformation Stabilization.
Chemistry, 26, 2020
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6NTK
 | | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-232 | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | | Deposit date: | 2019-01-29 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.406 Å) | | Cite: | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents
To Be Published
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8V6K
 | | Apo-state cryo-EM structure of human TRPV3 in cNW30 nanodiscs | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3 | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-12-01 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.46 Å) | | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
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8E9T
 | | Crystal structure of wild-type E. coli aspartate aminotransferase in the ligand-free form at 303 K | | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
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4YB8
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6VX6
 | | bestrophin-2 Ca2+-bound state (250 nM Ca2+) | | Descriptor: | Bestrophin, CALCIUM ION, CHLORIDE ION | | Authors: | Owji, A.P, Zhao, Q, Ji, C, Kittredge, A, Hopiavuori, A, Fu, Z, Ward, N, Clarke, O, Shen, Y, Zhang, Y, Hendrickson, W.A, Yang, T. | | Deposit date: | 2020-02-21 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural and functional characterization of the bestrophin-2 anion channel.
Nat.Struct.Mol.Biol., 27, 2020
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8QUD
 | | Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT5 | | Descriptor: | (5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Lakshminarayana, B, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G.S, Large, C.H, Williams, E, Sauer, D.B. | | Deposit date: | 2023-10-16 | | Release date: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | The binding and mechanism of a positive allosteric modulator of Kv3 channels.
Nat Commun, 15, 2024
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8V6N
 | | Open-state cryo-EM structure of human TRPV3 in presence of 2-APB in cNW30 nanodiscs | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-aminoethyl diphenylborinate, ARACHIDONIC ACID, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-12-01 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
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6W3P
 | | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with beta-methylnorleucine | | Descriptor: | CHLORIDE ION, GLYCEROL, Methyl-accepting chemotaxis protein, ... | | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | | Deposit date: | 2020-03-09 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.383 Å) | | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
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8E9V
 | | Crystal structure of E. coli aspartate aminotransferase mutant VFIT in the ligand-free form at 303 K | | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
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8Q9Q
 | | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC7 deacetylase binding motif | | Descriptor: | HDAC7 (histone deacetylase 7) binding motif peptide: GLY-VAL-VAL-LYS-GLN-LYS-LEU-ALA-GLU-VAL-ILE-LEU-LYS-LYS-GLN, MADS box dsDNA: AACTATTTATAAGA, MADS box dsDNA: TCTTATAAATAGTT, ... | | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | | Deposit date: | 2023-08-20 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
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6W09
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6W1C
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5LQV
 | | Spatial structure of the lentil lipid transfer protein in complex with anionic lysolipid LPPG | | Descriptor: | 1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)], Non-specific lipid-transfer protein 2 | | Authors: | Mineev, K.S, Shenkarev, Z.O, Arseniev, A.S, Melnikova, D.N, Finkina, E.I, Ovchinnikova, T.V. | | Deposit date: | 2016-08-17 | | Release date: | 2017-06-28 | | Last modified: | 2019-05-08 | | Method: | SOLUTION NMR | | Cite: | Ligand Binding Properties of the Lentil Lipid Transfer Protein: Molecular Insight into the Possible Mechanism of Lipid Uptake.
Biochemistry, 56, 2017
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7AH8
 | | NF-Y bound to suramin inhibitor | | Descriptor: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, CITRATE ANION, GLYCEROL, ... | | Authors: | Nardone, V, Chaves-Sanjuan, A, Lapi, M, Nardini, M. | | Deposit date: | 2020-09-24 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.70001364 Å) | | Cite: | Structural Basis of Inhibition of the Pioneer Transcription Factor NF-Y by Suramin.
Cells, 9, 2020
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6QL2
 | | Crystal structure of chimeric carbonic anhydrase VI with ethoxzolamide. | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-ethoxy-1,3-benzothiazole-2-sulfonamide, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-01-31 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors.
Sci Rep, 9, 2019
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6NV7
 | | BACE1 in complex with a macrocyclic inhibitor | | Descriptor: | (E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide, Beta-secretase 1 | | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | | Deposit date: | 2019-02-04 | | Release date: | 2019-10-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.132 Å) | | Cite: | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors.
Biochemistry, 58, 2019
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5LRK
 | | Crystal structure of the porcine carboxypeptidase B - Anabaenopeptin F complex | | Descriptor: | Anabaenopeptin F, Carboxypeptidase B, ZINC ION | | Authors: | Schreuder, H, Liesum, A, Loenze, P. | | Deposit date: | 2016-08-19 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
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8QUC
 | | Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT1 | | Descriptor: | (5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G, Large, C, Lakshminaraya, B, Williams, E, Sauer, D.B. | | Deposit date: | 2023-10-16 | | Release date: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | The binding and mechanism of a positive allosteric modulator of Kv3 channels.
Nat Commun, 15, 2024
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8V6O
 | | Inactivated-state cryo-EM structure of human TRPV3 in presence of 2-APB in cNW30 nanodiscs | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-aminoethyl diphenylborinate, SODIUM ION, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-12-01 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
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4YLL
 | | Crystal structure of DYRK1AA in complex with 10-Bromo-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5t | | Descriptor: | 1,2-ETHANEDIOL, 10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | | Authors: | Chaikuad, A, Falke, H, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-03-05 | | Release date: | 2015-03-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A.
J.Med.Chem., 58, 2015
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6YSZ
 | | Cryo-EM structure of T7 bacteriophage DNA translocation gp15 core protein intermediate assembly | | Descriptor: | Internal virion protein gp15 | | Authors: | Perez-Ruiz, M, Pulido-Cid, M, Luque-Ortega, J.R, Cuervo, A, Carrascosa, J.L. | | Deposit date: | 2020-04-23 | | Release date: | 2021-09-08 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Assisted assembly of bacteriophage T7 core components for genome translocation across the bacterial envelope.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6THZ
 | | IRAK4 IN COMPLEX WITH inhibitor | | Descriptor: | 7-fluoranyl-~{N}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine, Interleukin-1 receptor-associated kinase 4 | | Authors: | Xue, Y, Aagaard, A, Degorce, S.L. | | Deposit date: | 2019-11-21 | | Release date: | 2020-10-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors.
Bioorg.Med.Chem., 28, 2020
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8GSK
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