4YDD
 
 | | Crystal structure of the perchlorate reductase PcrAB from Azospira suillum PS | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Tsai, C.-L, Youngblut, M.D, Tainer, J.A. | | Deposit date: | 2015-02-21 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues.
J.Biol.Chem., 291, 2016
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8QXK
 | | Cryo-EM structure of tetrameric human SAMHD1 State I - Tense | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | Deposit date: | 2023-10-24 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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6YNL
 | | Crystal structure of YTHDC1 with compound DHU_DC1_078 | | Descriptor: | 3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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5JPH
 | | Structure of a GNAT acetyltransferase SACOL1063 from Staphylococcus aureus in complex with CoA | | Descriptor: | Acetyltransferase SACOL1063, CHLORIDE ION, COENZYME A | | Authors: | Majorek, K.A, Osinski, T, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-05-03 | | Release date: | 2016-06-29 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Insight into the 3D structure and substrate specificity of previously uncharacterized GNAT superfamily acetyltransferases from pathogenic bacteria.
Biochim.Biophys.Acta, 1865, 2016
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6W5J
 | | 1.85 A resolution structure of Norovirus 3CL protease in complex with inhibitor 7d | | Descriptor: | 2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate, 3C-LIKE PROTEASE | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | | Deposit date: | 2020-03-13 | | Release date: | 2020-09-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 63, 2020
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6YNP
 | | Crystal structure of YTHDC1 with compound T96C1 | | Descriptor: | CHLORIDE ION, SULFATE ION, YTHDC1, ... | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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5LWH
 | | CeuE (Y288F variant) a periplasmic protein from Campylobacter jejuni. | | Descriptor: | Enterochelin ABC transporter substrate-binding protein, ZINC ION | | Authors: | Wilde, E.J, Blagova, E, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J, Duhme-Klair, A.-K, Wilson, K.S. | | Deposit date: | 2016-09-16 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Sci Rep, 7, 2017
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8QXO
 | | Cryo-EM structure of tetrameric human SAMHD1 State V - Depleted relaxed | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | Deposit date: | 2023-10-24 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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6Y78
 | | Structure of galectin-3C in complex with lactose determined by serial crystallography using a silicon nitride membrane support | | Descriptor: | Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Hakansson, M, Welin, M, Shilova, A, Kovacic, R, Mueller, U, Logan, D.T. | | Deposit date: | 2020-02-28 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Current status and future opportunities for serial crystallography at MAX IV Laboratory.
J.Synchrotron Radiat., 27, 2020
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6GXQ
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1335 | | Descriptor: | 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE, GLYCEROL, GUANIDINE, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2018-06-27 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
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7Z3P
 | | Crystal structure of the mouse leptin:LepR-CRH2 encounter complex to 1.95 A resolution. | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Leptin, ... | | Authors: | Tsirigotaki, A, Verschueren, K, Savvides, S.N, Verstraete, K. | | Deposit date: | 2022-03-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.943 Å) | | Cite: | Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
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8S4S
 | | PrgE from plasmid pCF10 | | Descriptor: | POTASSIUM ION, PrgE, SULFATE ION | | Authors: | Breidenstein, A, Berntsson, R.P.-A. | | Deposit date: | 2024-02-22 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | PrgE: an OB-fold protein from plasmid pCF10 with striking differences to prototypical bacterial SSBs.
Life Sci Alliance, 7, 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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5NI9
 | | Crystal structure of HLA-DRB1*04:01 with the alpha-enolase peptide 326-340 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-enolase, ... | | Authors: | Gerstner, C, Dubnovitsky, A. | | Deposit date: | 2017-03-23 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Memory T cells specific to citrullinated alpha-enolase are enriched in the rheumatic joint.
J. Autoimmun., 92, 2018
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4YM9
 | | Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the novel inhibitor JM102 | | Descriptor: | 2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide, ACETATE ION, Chymotrypsin-like elastase family member 1, ... | | Authors: | Hofbauer, S, Brito, J.A, Mulchande, J, Nogly, P, Pessanha, M, Moreira, R, Archer, M. | | Deposit date: | 2015-03-06 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Clickable 4-Oxo-beta-lactam-Based Selective Probing for Human Neutrophil Elastase Related Proteomes.
ChemMedChem, 11, 2016
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6RLX
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6Y9N
 | | Crystal structure of Whirlin PDZ3_C-ter in complex with Myosin 15a C-terminal PDZ binding motif peptide | | Descriptor: | Unconventional myosin-XV, Whirlin | | Authors: | Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N. | | Deposit date: | 2020-03-10 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
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7Z4S
 | | Crystal structure of SARS-CoV-2 Mpro in complex with cyclic peptide GM4 including unnatural amino acids. | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Owen, C.D, Miura, T, Malla, T, Lukacik, L, Strain-Damerell, C.M, Tumber, A, Brewitz, L, McDonough, M.A, Salah, E, Terasaka, N, Katoh, T, Kawamura, A, Schofield, C.J, Suga, H, Walsh, M.A. | | Deposit date: | 2022-03-04 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In vitro selection of macrocyclic peptide inhibitors containing cyclic gamma 2,4 -amino acids targeting the SARS-CoV-2 main protease.
Nat.Chem., 15, 2023
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8RJZ
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GUE-3801 (compound 80 in publication) | | Descriptor: | (7~{S})-6-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-14-fluoranyl-10-(iminomethyl)-9-methyl-7-(phenylmethyl)-2-oxa-6,9,10-triazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-one, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, ... | | Authors: | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | | Deposit date: | 2023-12-22 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
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5NB6
 | | Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] | | Descriptor: | (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D | | Authors: | Mac Sweeney, A, Ostermann, N. | | Deposit date: | 2017-03-01 | | Release date: | 2017-06-28 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
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6Y9O
 | | Crystal structure of Whirlin PDZ3_C-ter in complex with CASK internal PDZ binding motif peptide | | Descriptor: | Peripheral plasma membrane protein CASK, Whirlin | | Authors: | Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N. | | Deposit date: | 2020-03-10 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.632 Å) | | Cite: | Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
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6YSC
 | | GLYCOSYLATED KNOB-HOLE/DUMMY FC FRAGMENT | | Descriptor: | Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Kuglstatter, A, Leibrock, L, Benz, J. | | Deposit date: | 2020-04-22 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Format chain exchange (FORCE) for high-throughput generation of bispecific antibodies in combinatorial binder-format matrices.
Nat Commun, 11, 2020
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6RTB
 | | cryo-em structure of alpha-synuclein fibril polymorph 2B | | Descriptor: | Alpha-synuclein | | Authors: | Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H. | | Deposit date: | 2019-05-22 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019
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6GYZ
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7TOM
 | | X-ray crystal structure of glycerol dibiphytanyl glycerol tetraether - macrocyclic archaeol synthase (GDGT-MAS) from Methanocaldococcus jannaschii with bacterial lipid substrate analog, 5'deoxyadenosine, and methionine bound | | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, 5'-DEOXYADENOSINE, FE (III) ION, ... | | Authors: | Lloyd, C.T, Booker, S.J, Boal, A.K. | | Deposit date: | 2022-01-24 | | Release date: | 2022-08-31 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery, structure and mechanism of a tetraether lipid synthase.
Nature, 609, 2022
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