5JJ8
 
 | | Crystal Structure of the Beta Carbonic Anhydrase psCA3 isolated from Pseudomonas aeruginosa - alternate crystal packing form | | Descriptor: | Carbonic anhydrase, ZINC ION | | Authors: | Pinard, M.A, Kurian, J.J, Aggarwal, M, Agbandje-McKenna, M, McKenna, R. | | Deposit date: | 2016-04-22 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.585 Å) | | Cite: | Cryoannealing-induced space-group transition of crystals of the carbonic anhydrase psCA3.
Acta Crystallogr.,Sect.F, 72, 2016
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8TKQ
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5HO8
 | | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-butyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, SULFATE ION | | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | | Deposit date: | 2016-01-19 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5HM1
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6GYJ
 | | Mouse thymidylate synthase crystal soaked in phenolphthalein | | Descriptor: | 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, SULFATE ION, ... | | Authors: | Maj, P, Jarmula, A, Wilk, P, Weiss, M.S, Rode, W. | | Deposit date: | 2018-06-30 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Thymidylate synthase fragment screening
To be published
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6H0Z
 | | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR067 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | | Deposit date: | 2018-07-10 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR067
To be published
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5HFS
 | | CRYSTAL STRUCTURE OF C-TERMINAL DOMAIN OF CARGO PROTEINS OF TYPE IX SECRETION SYSTEM | | Descriptor: | CALCIUM ION, Gingipain R2, ZINC ION | | Authors: | Golik, P, Szmigielski, B, Ksiazek, M, Nowakowska, Z, Mizgalska, D, Nowak, M, Dubin, G, Potempa, J. | | Deposit date: | 2016-01-07 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | The outer-membrane export signal of Porphyromonas gingivalis type IX secretion system (T9SS) is a conserved C-terminal beta-sandwich domain.
Sci Rep, 6, 2016
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8RHJ
 | | Yeast 20S proteasome in complex with a macrocyclic oxindole epoxyketone (compound 5) | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Macrocyclic oxindole epoxyketone, ... | | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | | Deposit date: | 2023-12-15 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
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4XVP
 | | X-ray structure of bGFP-C / EGFP complex | | Descriptor: | BGFP-C, Green fluorescent protein | | Authors: | Chevrel, A, Urvoas, A, Li de la Sierra-Gallay, I, Van Tilbeurgh, H, Minard, P, Valerio-Lepiniec, M. | | Deposit date: | 2015-01-27 | | Release date: | 2015-08-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Specific GFP-binding artificial proteins ( alpha Rep): a new tool for in vitro to live cell applications.
Biosci.Rep., 35, 2015
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5JA7
 | | Human cathepsin K mutant C25S in complex with the allosteric effector NSC94914 | | Descriptor: | ACETATE ION, Cathepsin K, GLYCEROL, ... | | Authors: | Novinec, M, Korenc, M, Lenarcic, B. | | Deposit date: | 2016-04-12 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | An allosteric site enables fine-tuning of cathepsin K by diverse effectors.
FEBS Lett., 590, 2016
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6JQE
 | | The structural basis of the beta-carbonic anhydrases CafD (wild type) of the filamentous fungus Aspergillus fumigatus | | Descriptor: | Carbonic anhydrase, ZINC ION | | Authors: | Jin, M.S, Kim, S, Kim, N.J, Hong, S, Kim, S, Sung, J. | | Deposit date: | 2019-03-30 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structural basis of the low catalytic activities of the two minor beta-carbonic anhydrases of the filamentous fungus Aspergillus fumigatus.
J.Struct.Biol., 208, 2019
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4PPH
 | | Crystal structure of conglutin gamma, a unique basic 7S globulin from lupine seeds | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Czubinski, J, Barciszewski, J, Gilski, M, Lampart-Szczapa, E, Jaskolski, M. | | Deposit date: | 2014-02-27 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | Structure of gamma-conglutin: insight into the quaternary structure of 7S basic globulins from legumes.
Acta Crystallogr.,Sect.D, 71, 2015
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8QXA
 | | TDP-43 amyloid fibrils: Morphology-1b | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Sharma, K, Shenoy, J, Loquet, A, Schmidt, M, Faendrich, M. | | Deposit date: | 2023-10-24 | | Release date: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (4.05 Å) | | Cite: | Cryo-EM observation of the amyloid key structure of polymorphic TDP-43 amyloid fibrils.
Nat Commun, 15, 2024
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5JMD
 | | Heparinase III-BT4657 gene product, Methylated Lysines | | Descriptor: | Heparinase III protein, MAGNESIUM ION | | Authors: | Ulaganathan, T.S, Shi, R, Yao, D, Garron, M.-L, Cherney, M, Cygler, M. | | Deposit date: | 2016-04-28 | | Release date: | 2016-05-25 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657).
Glycobiology, 27, 2017
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8RNX
 | | Hen Egg White Lysozyme soaked with [HIsq][trans-RuCl4(DMSO)(Isq)] | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K. | | Deposit date: | 2024-01-11 | | Release date: | 2024-01-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies.
Front Chem, 12, 2024
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8RNV
 | | Hen Egg White Lysozyme soaked with cis-Ru(DMSO)4Cl2 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K. | | Deposit date: | 2024-01-11 | | Release date: | 2024-01-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies.
Front Chem, 12, 2024
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8QTK
 | | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31) | | Descriptor: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | Authors: | Schimpl, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.873 Å) | | Cite: | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
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7AMP
 | | Crystal structure of the complex of HuJovi-1 Fab with the human A6 T-cell receptor TRBC1 | | Descriptor: | Alpha chain of A6 T-cell receptor, Beta chain 1 of A6 T-cell receptor TRBC1, CHLORIDE ION, ... | | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | | Deposit date: | 2020-10-09 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
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7AMQ
 | | Crystal structure of the complex of HuJovi-1 Fab with the human TRBC2 | | Descriptor: | CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ... | | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | | Deposit date: | 2020-10-09 | | Release date: | 2022-04-20 | | Last modified: | 2022-04-27 | | Method: | X-RAY DIFFRACTION (2.353 Å) | | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
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7AMS
 | | Crystal structure of the complex of the KFN mutant of HuJovi-1 Fab with human TRBC2 | | Descriptor: | CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ... | | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Svensson, A, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | | Deposit date: | 2020-10-09 | | Release date: | 2022-04-20 | | Last modified: | 2022-04-27 | | Method: | X-RAY DIFFRACTION (2.419 Å) | | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
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7AMR
 | | Crystal structure of the complex of the KFN mutant of Jovi-1 Fab with human TRBC1 | | Descriptor: | CHLORIDE ION, GLYCEROL, Human Jovi-1 Fab fragment, ... | | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | | Deposit date: | 2020-10-09 | | Release date: | 2022-04-20 | | Last modified: | 2022-04-27 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
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8QX9
 | | TDP-43 amyloid fibrils: Morphology-1a | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Sharma, K, Shenoy, J, Loquet, A, Schmidt, M, Faendrich, M. | | Deposit date: | 2023-10-24 | | Release date: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Cryo-EM observation of the amyloid key structure of polymorphic TDP-43 amyloid fibrils.
Nat Commun, 15, 2024
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6JQC
 | | The structural basis of the beta-carbonic anhydrase CafC (wild type) of the filamentous fungus Aspergillus fumigatus | | Descriptor: | Carbonic anhydrase, ZINC ION | | Authors: | Jin, M.S, Kim, S, Kim, N.J, Hong, S, Kim, S, Sung, J. | | Deposit date: | 2019-03-30 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structural basis of the low catalytic activities of the two minor beta-carbonic anhydrases of the filamentous fungus Aspergillus fumigatus.
J.Struct.Biol., 208, 2019
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5IX5
 | | NMR structure of antibacterial factor-2 | | Descriptor: | Antibacterial factor-related peptide 2 | | Authors: | Masakatsu, K, Umetsu, Y, Rumi, F, Kikukawa, T, Ohki, S, Mizuguchi, M, Demura, M, Aizawa, T. | | Deposit date: | 2016-03-23 | | Release date: | 2017-03-29 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | NMR structure of ABF-2 (antibacterial factor-2) from C. elegans and the interaction with membrane mimetic systems
To Be Published
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5JPX
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