5D1T
 
 | | Anthrax toxin lethal factor with hydroxamic acid inhibitor | | Descriptor: | Lethal factor, N~2~-[3-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION | | Authors: | Maize, K.M, Finzel, B.C. | | Deposit date: | 2015-08-04 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
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4W9R
 | | Crystal structure of uncharacterised protein Coch_1243 from Capnocytophaga ochracea DSM 7271 | | Descriptor: | ACETATE ION, GLYCEROL, Uncharacterized protein | | Authors: | Chang, C, Wu, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Crystal structure of uncharacterised protein Coch_1243 from Capnocytophaga ochracea DSM 7271
To Be Published
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8RQU
 | | Structure of TEM1 beta-lactamase variant 70.a | | Descriptor: | Beta-lactamase TEM-1, MAGNESIUM ION | | Authors: | Napier, E, Fram, B.F, Gauthier, N.P, Sander, C, Khan, A.R. | | Deposit date: | 2024-01-19 | | Release date: | 2024-02-14 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Simultaneous enhancement of multiple functional properties using evolution-informed protein design.
Nat Commun, 15, 2024
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5CUV
 | | Crystal structure of Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in apo form | | Descriptor: | Acidocalcisomal pyrophosphatase, D-MALATE, MAGNESIUM ION | | Authors: | Ko, T.P, Yang, Y.Y, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | Deposit date: | 2015-07-25 | | Release date: | 2016-03-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Crystal structure of Trypanosoma cruzi protein in complex with ligand
Acs Chem.Biol., 2016
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4V7Y
 | | Structure of the Thermus thermophilus 70S ribosome complexed with azithromycin. | | Descriptor: | 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Bulkley, D.P, Innis, C.A, Blaha, G, Steitz, T.A. | | Deposit date: | 2010-08-18 | | Release date: | 2014-07-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Revisiting the structures of several antibiotics bound to the bacterial ribosome.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5CVL
 | | WDR48 (UAF-1), residues 2-580 | | Descriptor: | GOLD ION, PHOSPHATE ION, WD repeat-containing protein 48 | | Authors: | HARRIS, S.F, YIN, J. | | Deposit date: | 2015-07-27 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46.
Structure, 23, 2015
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5D2C
 | | Reaction of phosphorylated CheY with imidazole 1 of 3 | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein CheY, GLYCEROL, ... | | Authors: | Page, S, Silversmith, R.E, Bourret, R.B, Collins, E.J. | | Deposit date: | 2015-08-05 | | Release date: | 2016-03-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Imidazole as a Small Molecule Analogue in Two-Component Signal Transduction.
Biochemistry, 54, 2015
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5X3K
 | | Kfla1895 D451A mutant in complex with isomaltose | | Descriptor: | GLYCEROL, Glycoside hydrolase family 31, SULFATE ION, ... | | Authors: | Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A. | | Deposit date: | 2017-02-06 | | Release date: | 2018-02-07 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Glycoside hydrolase mutant in complex with product
To Be Published
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4WBL
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation F235A | | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION, GLYCEROL | | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | | Deposit date: | 2014-09-03 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
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4WC4
 | | tRNA-processing enzyme complex 2 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Poly A polymerase, RNA (74-MER) | | Authors: | Yamashita, S, Tomita, K. | | Deposit date: | 2014-09-04 | | Release date: | 2015-04-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.501 Å) | | Cite: | Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme.
Structure, 23, 2015
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5CW9
 | | Crystal structure of De novo designed ferredoxin-ferredoxin domain insertion protein | | Descriptor: | De novo designed ferredoxin-ferredoxin domain insertion protein | | Authors: | DiMaio, F, King, I.C, Gleixner, J, Doyle, L, Stoddard, B, Baker, D. | | Deposit date: | 2015-07-28 | | Release date: | 2015-09-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.108 Å) | | Cite: | Precise assembly of complex beta sheet topologies from de novo designed building blocks.
Elife, 4, 2015
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5CWQ
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4WEC
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5X7R
 | | Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with isomaltohexaose | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K. | | Deposit date: | 2017-02-27 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch
Biochem. J., 474, 2017
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5D45
 | | Crystal Structure of FABP4 in complex with 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid | | Descriptor: | 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid, Fatty acid-binding protein, adipocyte | | Authors: | Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T. | | Deposit date: | 2015-08-07 | | Release date: | 2016-06-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
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5D4C
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6YB6
 | | Thrombin in complex with D-Phe-Pro-3-chloro-1,3-dihydroxybenzylamide derivative (13c) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-Phe-Pro-3-chloro-1,3-dihydroxybenzylamide derivative, DIMETHYL SULFOXIDE, ... | | Authors: | Sandner, A, Heine, A, Klebe, G, Abazi, N. | | Deposit date: | 2020-03-16 | | Release date: | 2021-03-31 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Thrombin in complex with D-Phe-Pro-3-chloro-1,3-dihydroxybenzylamide derivative (13c)
To be published
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7R2T
 | | SYNJ2BP complex with a phosphorylated Vangl2 peptide at the P-1 position. | | Descriptor: | CALCIUM ION, GLYCEROL, Synaptojanin-2-binding protein,Annexin, ... | | Authors: | Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G. | | Deposit date: | 2022-02-05 | | Release date: | 2023-05-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | PDZome-wide and structural characterization of the PDZ-binding motif of VANGL2.
Biochim Biophys Acta Proteins Proteom, 1872, 2024
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7QT2
 | | Antibody FenAb208 - fentanyl complex | | Descriptor: | Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | | Deposit date: | 2022-01-14 | | Release date: | 2023-05-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
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5CXZ
 | | SYK catalytic domain complexed with naphthyridine inhibitor | | Descriptor: | CHLORIDE ION, GLYCEROL, N-{7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl}propane-1,3-diamine, ... | | Authors: | Thoma, G, Veenstra, S, Strang, R, Blanz, J, Vangrevelinghe, E, Berghausen, J, Lee, C.C, Zerwes, H.-G. | | Deposit date: | 2015-07-29 | | Release date: | 2015-09-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Orally bioavailable Syk inhibitors with activity in a rat PK/PD model.
Bioorg.Med.Chem.Lett., 25, 2015
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7R2M
 | | SYNJ2BP complex with a synthetic Vangl2 peptide (9mer). | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G. | | Deposit date: | 2022-02-04 | | Release date: | 2023-05-17 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | PDZome-wide and structural characterization of the PDZ-binding motif of VANGL2.
Biochim Biophys Acta Proteins Proteom, 1872, 2024
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7QUH
 | | Siglec-8 in complex with therapeutic Fab AK002. | | Descriptor: | Sialic acid-binding Ig-like lectin 8, Sialic acid-binding immunoglobulin-type lectin | | Authors: | Lenza, M.P, Oyenarte, I, Jimenez Barbero, J, Ereno Orbea, J. | | Deposit date: | 2022-01-18 | | Release date: | 2023-05-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.867 Å) | | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023
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5D6R
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5CY9
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-07-30 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
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7QT4
 | | Antibody FenAb709 - fentanyl complex | | Descriptor: | 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain | | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | | Deposit date: | 2022-01-14 | | Release date: | 2023-05-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
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