8Q6C
 
 | | The RSL-D32N - sulfonato-calix[8]arene complex, P63 form, acetate pH 4.0 | | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | | Authors: | Flood, R.J, Crowley, P.B. | | Deposit date: | 2023-08-11 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Supramolecular Synthons in Protein-Ligand Frameworks.
Cryst.Growth Des., 24, 2024
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8Q6A
 | | The RSL-D32N - sulfonato-calix[8]arene complex, I213 form, citrate pH 4.0 | | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | | Authors: | Flood, R.J, Crowley, P.B. | | Deposit date: | 2023-08-11 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Supramolecular Synthons in Protein-Ligand Frameworks.
Cryst.Growth Des., 24, 2024
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8Q6B
 | | The RSL-D32N - sulfonato-calix[8]arene complex, I23 form, citrate pH 4.0, obtained by cross-seeding | | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | | Authors: | Flood, R.J, Crowley, P.B. | | Deposit date: | 2023-08-11 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Supramolecular Synthons in Protein-Ligand Frameworks.
Cryst.Growth Des., 24, 2024
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6ID1
 | | Cryo-EM structure of a human intron lariat spliceosome after Prp43 loaded (ILS2 complex) at 2.9 angstrom resolution | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, CWF19-like protein 2, Cell division cycle 5-like protein, ... | | Authors: | Zhang, X, Zhan, X, Yan, C, Shi, Y. | | Deposit date: | 2018-09-07 | | Release date: | 2019-03-13 | | Last modified: | 2020-10-14 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structures of the human spliceosomes before and after release of the ligated exon.
Cell Res., 29, 2019
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8AYS
 | | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 4-(2-aminothiazol-4-yl)phenol | | Descriptor: | 4-(2-amino-1,3-thiazol-4-yl)phenol, Host translation inhibitor nsp1 | | Authors: | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2022-09-03 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Int J Mol Sci, 23, 2022
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8AZ8
 | | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 2-(benzylamino)ethan-1-ol | | Descriptor: | 2-[(phenylmethyl)amino]ethanol, Host translation inhibitor nsp1 | | Authors: | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2022-09-05 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Int J Mol Sci, 23, 2022
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2OVA
 | | X-ray structure of Human Complement Protein C8gamma Y83W Mutant | | Descriptor: | Complement component 8, gamma polypeptide | | Authors: | Chiswell, B, Lovelace, L.L, Brannen, C, Ortlund, E.A, Lebioda, L, Sodetz, J.M. | | Deposit date: | 2007-02-13 | | Release date: | 2007-05-22 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural features of the ligand binding site on human complement protein C8gamma: A member of the lipocalin family
Biochim.Biophys.Acta, 1774, 2007
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7TRW
 | | Crystal Structure of the C-terminal Ligand-Binding Domain of the LysR family Transcriptional Regulator YfbA from Yersinia pestis | | Descriptor: | 3-HYDROXYBENZOIC ACID, LysR-family transcriptional regulatory protein, PHOSPHATE ION | | Authors: | Kim, Y, Tesar, C, Crawford, M, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-01-31 | | Release date: | 2022-02-09 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal Structure of the C-terminal Ligand-Binding Domain of the LysR family Transcriptional Regulator YfbA from Yersinia pestis
To Be Published
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118D
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4OS7
 | | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK607 (bicyclic) | | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Chen, S, Pojer, F, Heinis, C. | | Deposit date: | 2014-02-12 | | Release date: | 2014-09-24 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
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4OS5
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8G4V
 | | Horse liver alcohol dehydrogense His-51-Gln form complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | | Authors: | Plapp, B.V, Subramanian, R. | | Deposit date: | 2023-02-10 | | Release date: | 2023-02-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Histidine-51 facilitates deprotonation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase
To Be Published
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4OS1
 | | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK601 (bicyclic 1) | | Descriptor: | ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... | | Authors: | Chen, S, Pojer, F, Heinis, C. | | Deposit date: | 2014-02-12 | | Release date: | 2014-09-24 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
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6QF5
 | | X-Ray structure of human Aquaporin 2 crystallized on a silicon chip | | Descriptor: | Aquaporin-2, CADMIUM ION | | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | | Deposit date: | 2019-01-09 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
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5KWV
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2W8F
 | | Aplysia californica AChBP bound to in silico compound 31 | | Descriptor: | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J. | | Deposit date: | 2009-01-16 | | Release date: | 2009-04-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis.
J.Med.Chem., 52, 2009
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7P3A
 | | N-terminal domain of CGI-99 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ISOPROPYL ALCOHOL, ... | | Authors: | Kroupova, A, Jinek, M. | | Deposit date: | 2021-07-07 | | Release date: | 2021-12-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular architecture of the human tRNA ligase complex.
Elife, 10, 2021
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7UWL
 | | Structure of the IL-25-IL-17RB-IL-17RA ternary complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ... | | Authors: | Wilson, S.C, Caveney, N.A, Jude, K.M, Garcia, K.C. | | Deposit date: | 2022-05-03 | | Release date: | 2022-07-27 | | Last modified: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Organizing structural principles of the IL-17 ligand-receptor axis.
Nature, 609, 2022
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7UWK
 | | Structure of the higher-order IL-25-IL-17RB complex | | Descriptor: | Interleukin-17 receptor B, Interleukin-25 | | Authors: | Wilson, S.C, Caveney, N.A, Jude, K.M, Garcia, K.C. | | Deposit date: | 2022-05-03 | | Release date: | 2022-07-27 | | Last modified: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Organizing structural principles of the IL-17 ligand-receptor axis.
Nature, 609, 2022
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7UWJ
 | | Structure of the homodimeric IL-25-IL-17RB binary complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor B, Interleukin-25 | | Authors: | Wilson, S.C, Caveney, N.A, Jude, K.M, Garcia, K.C. | | Deposit date: | 2022-05-03 | | Release date: | 2022-07-27 | | Last modified: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Organizing structural principles of the IL-17 ligand-receptor axis.
Nature, 609, 2022
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4OS2
 | | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK602 (bicyclic 1) | | Descriptor: | ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... | | Authors: | Chen, S, Pojer, F, Heinis, C. | | Deposit date: | 2014-02-12 | | Release date: | 2014-09-24 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
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1H5Z
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4K9T
 | | Complex of CYP3A4 with a desoxyritonavir analog | | Descriptor: | Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2013-04-21 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
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1D2J
 | | LDL RECEPTOR LIGAND-BINDING MODULE 6 | | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR | | Authors: | North, C.L, Blacklow, S.C. | | Deposit date: | 1999-09-23 | | Release date: | 2000-03-22 | | Last modified: | 2021-11-03 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the sixth LDL-A module of the LDL receptor.
Biochemistry, 39, 2000
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5MAP
 | | X-ray generated oxyferrous complex of DtpA from Streptomyces lividans | | Descriptor: | DtpA, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Moreno Chicano, T, Chaplin, A.K, Worrall, J.A.R, Strange, R.W, Hough, M.A. | | Deposit date: | 2016-11-04 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Photoreduction and validation of haem-ligand intermediate states in protein crystals by in situ single-crystal spectroscopy and diffraction.
IUCrJ, 4, 2017
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