6CHZ
 
 | | Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224. | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor | | Authors: | Larsen, N.A. | | Deposit date: | 2018-02-23 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
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6CHW
 | | Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942. | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ... | | Authors: | Larsen, N.A. | | Deposit date: | 2018-02-23 | | Release date: | 2018-03-21 | | Last modified: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
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5NJR
 | | Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 50s time-delay, phased with 4ET8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | Authors: | Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J. | | Deposit date: | 2017-03-29 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
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6TGW
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6HK2
 | | Crystal structure of ferric R-state human methemoglobin bound to maleimide-deferoxamine bifunctional chelator (DFO) | | Descriptor: | 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-methyl-propanamide, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Cerutti, G, Savino, C, Montemiglio, L.C, Boffi, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Biodistribution PET/CT Study of Hemoglobin-DFO-89Zr Complex in Healthy and Lung Tumor-Bearing Mice.
Int J Mol Sci, 21, 2020
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7AGZ
 | | BsrV no-histagged | | Descriptor: | Broad specificity amino-acid racemase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Carrasco-Lopez, C, Rojas-Altuve, A, Espaillat, A, Cava, F, Hermoso, J.A. | | Deposit date: | 2020-09-23 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Binding of non-canonical peptidoglycan controls Vibrio cholerae broad spectrum racemase activity.
Comput Struct Biotechnol J, 19, 2021
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6FTR
 | | Serial Femtosecond Crystallography at Megahertz pulse rates | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N. | | Deposit date: | 2018-02-23 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.76000106 Å) | | Cite: | Megahertz serial crystallography.
Nat Commun, 9, 2018
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6GTH
 | | Serial Femtosecond Crystallography at Megahertz pulse rates | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H. | | Deposit date: | 2018-06-18 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Megahertz serial crystallography.
Nat Commun, 9, 2018
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4XEB
 | | The structure of P. funicolosum Cel7A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glucanase, ... | | Authors: | Alahuhta, P.M, Lunin, V.V. | | Deposit date: | 2014-12-23 | | Release date: | 2016-06-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Engineering enhanced cellobiohydrolase activity
Nat Commun, 9(1), 2018
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5M6O
 | | Frutapin complexed with alpha-D-mannose | | Descriptor: | Frutapin, alpha-D-mannopyranose | | Authors: | de Sousa, F.D, Guo, J, Coker, A.R, de Oliveira Monteiro-Moreira, A, de Azevedo Moreira, R. | | Deposit date: | 2016-10-25 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Frutapin, a lectin fromArtocarpus incisa(breadfruit): cloning, expression and molecular insights.
Biosci. Rep., 37, 2017
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5LS9
 | | Humanized Archaeal ferritin | | Descriptor: | Ferritin, putative, MAGNESIUM ION | | Authors: | Baiocco, P, Trabuco, M.C, Boffi, A. | | Deposit date: | 2016-08-23 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Humanized archaeal ferritin as a tool for cell targeted delivery.
Nanoscale, 9, 2017
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5MIK
 | | X-ray structure of carboplatin-encapsulated horse spleen apoferritin (rotating anode data) | | Descriptor: | CADMIUM ION, CHLORIDE ION, Ferritin light chain, ... | | Authors: | Pontillo, N, Ferraro, G, Helliwell, J.R, Merlino, A. | | Deposit date: | 2016-11-28 | | Release date: | 2017-03-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | X-ray Structure of the Carboplatin-Loaded Apo-Ferritin Nanocage.
ACS Med Chem Lett, 8, 2017
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7AFZ
 | | L1 metallo-b-lactamase with compound EBL-1306 | | Descriptor: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | | Authors: | Hinchliffe, P, Spencer, J, Brem, J. | | Deposit date: | 2020-09-21 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors.
Nat.Chem., 14, 2022
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6VVU
 | | Anti-Tryptase fab E104.v1 bound to tryptase | | Descriptor: | CALCIUM ION, Fab E104.v1 heavy chain, Fab E104.v1 light chain, ... | | Authors: | Ultsch, M, Koerber, J.T. | | Deposit date: | 2020-02-18 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Bivalent antibody pliers inhibit beta-tryptase by an allosteric mechanism dependent on the IgG hinge.
Nat Commun, 11, 2020
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5MIJ
 | | X-ray structure of carboplatin-encapsulated horse spleen apoferritin | | Descriptor: | CADMIUM ION, CHLORIDE ION, Ferritin light chain, ... | | Authors: | Pontillo, N, Ferraro, G, Helliwell, J.R, Merlino, A. | | Deposit date: | 2016-11-28 | | Release date: | 2017-03-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | X-ray Structure of the Carboplatin-Loaded Apo-Ferritin Nanocage.
ACS Med Chem Lett, 8, 2017
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6GXJ
 | | X-ray structure of DiRu-1-encapsulated Apoferritin | | Descriptor: | CADMIUM ION, CHLORIDE ION, Ferritin light chain, ... | | Authors: | Pica, A, Ferraro, G, Merlino, A. | | Deposit date: | 2018-06-27 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Encapsulation of the Dinuclear Trithiolato-Bridged Arene Ruthenium Complex Diruthenium-1 in an Apoferritin Nanocage: Structure and Cytotoxicity.
ChemMedChem, 14, 2019
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4IQT
 | | Tdt core in complex with inhibitor 6-[4-(3-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid | | Descriptor: | 6-[4-(3-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid, DNA nucleotidylexotransferase | | Authors: | Gouge, J, Delarue, M. | | Deposit date: | 2013-01-13 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target.
J.Med.Chem., 56, 2013
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4IQU
 | | Tdt core in complex with inhibitor (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid | | Descriptor: | (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid, DNA nucleotidylexotransferase, SODIUM ION | | Authors: | Gouge, J, Delarue, M. | | Deposit date: | 2013-01-13 | | Release date: | 2013-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target.
J.Med.Chem., 56, 2013
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4IQV
 | | Tdt core in complex with inhibitor 6-[4-(3-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid and ssDNA | | Descriptor: | 5'-D(*GP*CP*CP*G)-3', 6-[4-(3-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid, DNA nucleotidylexotransferase, ... | | Authors: | Gouge, J, Delarue, M. | | Deposit date: | 2013-01-13 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target.
J.Med.Chem., 56, 2013
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4IQW
 | | Tdt core in complex with inhibitor (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid and ssDNA | | Descriptor: | (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoic acid, 5'-D(*GP*CP*CP*G)-3', DNA nucleotidylexotransferase, ... | | Authors: | Gouge, J, Delarue, M. | | Deposit date: | 2013-01-13 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target.
J.Med.Chem., 56, 2013
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6RNN
 | | P46, an immunodominant surface protein from Mycoplasma hyopneumoniae | | Descriptor: | Immunoglobulin heavy chain, Immunoglobulin light chain | | Authors: | Guasch, A, Gonzalez-Gonzalez, L, Fita, I. | | Deposit date: | 2019-05-09 | | Release date: | 2019-11-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of P46, an immunodominant surface protein from Mycoplasma hyopneumoniae: interaction with a monoclonal antibody.
Acta Crystallogr D Struct Biol, 76, 2020
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6RQG
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8QT5
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6F60
 | | The x-ray structure of bovine pancreatic ribonuclease in complex with a five-coordinate platinum(II) compound containing a sugar ligand | | Descriptor: | Ribonuclease pancreatic, SULFATE ION, five-coordinate platinum(II) compound | | Authors: | Merlino, A, Ferraro, G. | | Deposit date: | 2017-12-04 | | Release date: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Five-Coordinate Platinum(II) Compounds Containing Sugar Ligands: Synthesis, Characterization, Cytotoxic Activity, and Interaction with Biological Macromolecules.
Inorg Chem, 57, 2018
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8QTC
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