3USL
| Crystal Structure of LeuT bound to L-selenomethionine in space group C2 from lipid bicelles | Descriptor: | ACETATE ION, IODIDE ION, PHOSPHOCHOLINE, ... | Authors: | Wang, H, Elferich, J, Gouaux, E. | Deposit date: | 2011-11-23 | Release date: | 2012-01-11 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structures of LeuT in bicelles define conformation and substrate binding in a membrane-like context. Nat.Struct.Mol.Biol., 19, 2012
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6DJF
| Crystal structure of Tdp1 catalytic domain in complex with compound XZ502 | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3,8-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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5VSG
| Fibrils of the super helical repeat peptide, SHR-FF, grown at elevated temperature | Descriptor: | Super Helical Repeat Peptide SHR-FF | Authors: | Mondal, S, Sawaya, M.R, Eisenberg, D.S, Gazit, E. | Deposit date: | 2017-05-11 | Release date: | 2018-06-27 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Transition of Metastable Cross-alpha Crystals into Cross-beta Fibrils by beta-Turn Flipping. J.Am.Chem.Soc., 141, 2019
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5VVR
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5VTK
| Structure of Pin1 WW Domain Variant 1 with beta3-Ser Loop Substitution | Descriptor: | CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T. | Deposit date: | 2017-05-17 | Release date: | 2018-02-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure. Chembiochem, 19, 2018
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6DN3
| CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1555 SPLIT RNA | Descriptor: | 7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T. | Deposit date: | 2018-06-05 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch. ACS Chem. Biol., 13, 2018
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4WAE
| Phosphatidylinositol 4-kinase III beta crystallized with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta | Authors: | Chalupska, D, Boura, E. | Deposit date: | 2014-08-29 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.318 Å) | Cite: | Highly Selective Phosphatidylinositol 4-Kinase III beta Inhibitors and Structural Insight into Their Mode of Action. J.Med.Chem., 58, 2015
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6QRT
| X-ray radiation dose series on xylose isomerase - 1.38 MGy | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | Authors: | Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F. | Deposit date: | 2019-02-19 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both. J.Synchrotron Radiat., 26, 2019
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5KK8
| Crystal structure of Nucleoside Diphosphate Kinase from Schistosoma mansoni in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase | Authors: | Torini, J.R.S, Romanello, L, Bird, L.E, Nettleship, J.E, Owens, R.J, Aller, P, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2016-06-21 | Release date: | 2017-06-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs. Mol.Biochem.Parasitol., 2019
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6QN9
| Structure of bovine anti-RSV Fab B4 | Descriptor: | GLYCEROL, Heavy chain, SULFATE ION, ... | Authors: | Ren, J, Nettleship, J.E, Harris, G, Mwangi, W, Rhaman, N, Grant, C, Kotecha, A, Fry, E, Charleston, B, Stuart, D.I, Hammond, J, Owens, R.J. | Deposit date: | 2019-02-10 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | The role of the light chain in the structure and binding activity of two cattle antibodies that neutralize bovine respiratory syncytial virus. Mol.Immunol., 112, 2019
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3UFA
| Crystal structure of the staphylococcal serine protease SplA in complex with a specific phosphonate inhibitor | Descriptor: | CHLORIDE ION, N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide, Serine protease splA | Authors: | Zdzalik, M, Pietrusewicz, E, Pustelny, K, Stec-Niemczyk, J, Popowicz, G.M, Potempa, J, Oleksyszyn, J, Dubin, G. | Deposit date: | 2011-10-31 | Release date: | 2013-01-23 | Last modified: | 2014-03-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development and binding characteristics of phosphonate inhibitors of SplA protease from Staphylococcus aureus. Protein Sci., 23, 2014
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6DJE
| Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound CDS010292 | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.705 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6QRR
| X-ray radiation dose series on xylose isomerase - 0.13 MGy | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | Authors: | Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F. | Deposit date: | 2019-02-19 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.096 Å) | Cite: | Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both. J.Synchrotron Radiat., 26, 2019
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6QRV
| X-ray radiation dose series on xylose isomerase - 2.63 MGy | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | Authors: | Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F. | Deposit date: | 2019-02-19 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both. J.Synchrotron Radiat., 26, 2019
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6QSU
| Helicobacter pylori urease with BME bound in the active site | Descriptor: | BETA-MERCAPTOETHANOL, NICKEL (II) ION, Urease subunit alpha, ... | Authors: | Luecke, H, Cunha, E. | Deposit date: | 2019-02-22 | Release date: | 2021-01-20 | Last modified: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Cryo-EM structure of Helicobacter pylori urease with an inhibitor in the active site at 2.0 angstrom resolution. Nat Commun, 12, 2021
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2YDM
| Structural characterization of angiotensin-I converting enzyme in complex with a selenium analogue of captopril | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN CONVERTING ENZYME, CHLORIDE ION, ... | Authors: | Akif, M, Masuyer, G, Schwager, S.L.U, Bhuyan, B.J, Mugesh, G, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2011-03-22 | Release date: | 2011-09-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural Characterization of Angiotensin-I Converting Enzyme in Complex with a Selenium Analogue of Captopril FEBS J., 278, 2011
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6QX8
| Influenza A virus (A/NT/60/1968) polymerase dimer of heterotrimer in complex with 5' cRNA promoter | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(P*AP*GP*CP*AP*AP*AP*AP*GP*CP*AP*GP*A)-3'), ... | Authors: | Carrique, L, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M. | Deposit date: | 2019-03-07 | Release date: | 2019-09-04 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.07 Å) | Cite: | Structures of influenza A virus RNA polymerase offer insight into viral genome replication. Nature, 573, 2019
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6QN7
| Structure of bovine anti-RSV hybrid Fab B4HC-B13LC | Descriptor: | Heavy chain of bovine anti-RSV B4, Light chain of bovine anti-RSV B13 | Authors: | Ren, J, Nettleship, J.E, Harris, G, Mwangi, W, Rhaman, N, Grant, C, Kotecha, A, Fry, E, Charleston, B, Stuart, D.I, Hammond, J, Owens, R.J. | Deposit date: | 2019-02-10 | Release date: | 2019-05-29 | Last modified: | 2019-08-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The role of the light chain in the structure and binding activity of two cattle antibodies that neutralize bovine respiratory syncytial virus. Mol.Immunol., 112, 2019
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6KVQ
| S. aureus FtsZ in complex with BOFP (compound 3) | Descriptor: | CALCIUM ION, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ferrer-Gonzalez, E, Fujita, J, Yoshizawa, T, Nelson, J.M, Pilch, A.J, Hillman, E, Ozawa, M, Kuroda, N, Parhi, A.K, LaVoie, E.J, Matsumura, H, Pilch, D.S. | Deposit date: | 2019-09-05 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Design of a Fluorescent Probe for the Visualization of FtsZ in Clinically Important Gram-Positive and Gram-Negative Bacterial Pathogens. Sci Rep, 9, 2019
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6QRS
| X-ray radiation dose series on xylose isomerase - 0.13 MGy | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | Authors: | Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F. | Deposit date: | 2019-02-19 | Release date: | 2019-07-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both. J.Synchrotron Radiat., 26, 2019
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6DWM
| Structure of Human Cytochrome P450 1A1 with Bergamottin | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 1A1, ... | Authors: | Bart, A.G, Scott, E.E. | Deposit date: | 2018-06-26 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands. J. Biol. Chem., 293, 2018
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6QRW
| X-ray radiation dose series on xylose isomerase - 3.25 MGy | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | Authors: | Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F. | Deposit date: | 2019-02-19 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both. J.Synchrotron Radiat., 26, 2019
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5L38
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5L8Y
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-937 | Descriptor: | 2-[(4-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-N-(2-hydroxyethyl)acetamide, FORMIC ACID, GLYCEROL, ... | Authors: | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | Deposit date: | 2016-06-08 | Release date: | 2018-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
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6KVP
| S. aureus FtsZ in complex with 3-(1-(5-bromo-4-(4-(trifluoromethyl)phenyl)oxazol-2-yl)ethoxy)-2,6-difluorobenzamide (compound 2) | Descriptor: | 3-[(1R)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ... | Authors: | Ferrer-Gonzalez, E, Fujita, J, Yoshizawa, T, Nelson, J.M, Pilch, A.J, Hillman, E, Ozawa, M, Kuroda, N, Parhi, A.K, LaVoie, E.J, Matsumura, H, Pilch, D.S. | Deposit date: | 2019-09-05 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Guided Design of a Fluorescent Probe for the Visualization of FtsZ in Clinically Important Gram-Positive and Gram-Negative Bacterial Pathogens. Sci Rep, 9, 2019
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