7S4W
 
 | | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Lysozyme | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | | Deposit date: | 2021-09-09 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
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7S4Y
 | | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Insulin | | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | | Deposit date: | 2021-09-09 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
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7S50
 | | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Phycocyanin | | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, CHLORIDE ION, ... | | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | | Deposit date: | 2021-09-09 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
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7S4R
 | | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - alpha Spectrin-SH3 domain | | Descriptor: | Spectrin alpha chain, non-erythrocytic 1 | | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | | Deposit date: | 2021-09-09 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
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5LT1
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8DWC
 | | CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22 | | Descriptor: | Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Liu, Y, Cao, C, Fay, J.F, Roth, B.L. | | Deposit date: | 2022-08-01 | | Release date: | 2022-11-02 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Ligand recognition and allosteric modulation of the human MRGPRX1 receptor.
Nat.Chem.Biol., 19, 2023
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5J6E
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6T9M
 | | Crystal structure of the Chitinase Domain of the Spore Coat Protein CotE from Clostridium difficile | | Descriptor: | DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Peptide in active site, ... | | Authors: | Whittingham, J.L, Dodson, E.J, Wilkinson, A.J. | | Deposit date: | 2019-10-28 | | Release date: | 2020-07-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structures of the GH18 domain of the bifunctional peroxiredoxin-chitinase CotE from Clostridium difficile.
Acta Crystallogr.,Sect.F, 76, 2020
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5JGK
 | | Crystal structure of GtmA in complex with SAH | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, UbiE/COQ5 family methyltransferase, ... | | Authors: | Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Dolye, S. | | Deposit date: | 2016-04-20 | | Release date: | 2017-03-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus.
Open Biol, 7, 2017
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6TDE
 | | Tubulin-inhibitor complex | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Varela, P.F, Gigant, B. | | Deposit date: | 2019-11-08 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.286 Å) | | Cite: | Discovery of dihydrofuranoallocolchicinoids - Highly potent antimitotic agents with low acute toxicity.
Eur.J.Med.Chem., 207, 2020
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4YEK
 | | X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with thymidine | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | | Authors: | Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | | Deposit date: | 2015-02-24 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine.
Acta Crystallogr.,Sect.F, 72, 2016
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6FUT
 | | Complement factor D in complex with the inhibitor (S)-3'-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,1'-biphenyl]-3-carboxamide | | Descriptor: | 3-[3-(aminomethyl)phenyl]-~{N}-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide, Complement factor D, SUCCINIC ACID | | Authors: | Mac Sweeney, A, Vulpetti, A, Erbel, P, Lorthiois, E, Maibaum, J, Randl, S. | | Deposit date: | 2018-02-27 | | Release date: | 2018-06-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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6TSB
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3AU0
 | | Structural and biochemical characterization of ClfB:ligand interactions | | Descriptor: | Clumping factor B, MAGNESIUM ION | | Authors: | Ganesh, V.K, Barbu, E.M, Deivanayagam, C.C.S, Le, B, Anderson, A.S, Matsuka, Y, Lin, S.L, Foster, T.F, Narayana, S.V.L, Hook, M. | | Deposit date: | 2011-01-28 | | Release date: | 2011-05-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural and biochemical characterization of ClfB:ligand interactions
To be published
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3ASW
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3AT0
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3OVN
 | | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | | Descriptor: | 1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Chalmers, D.K, Headey, S.J, Deadman, J.J, Rhodes, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2010-09-16 | | Release date: | 2011-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
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6TZ7
 | | Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus) | | Descriptor: | 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ... | | Authors: | Fox III, D, Horanyi, P.S. | | Deposit date: | 2019-08-10 | | Release date: | 2019-09-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
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7P3I
 | | Crystal structure of human CD40/TNFRSF5 in complex with the anti-CD40 DARPin protein | | Descriptor: | Darpin, SODIUM ION, Tumor necrosis factor receptor superfamily member 5 | | Authors: | Malvezzi, F, Mangold, S, Hospodarsch, T, Reichen, C, Iss, C, Lammens, A, Krapp, S, Domke, C. | | Deposit date: | 2021-07-07 | | Release date: | 2022-04-06 | | Last modified: | 2022-05-11 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | A Multispecific Anti-CD40 DARPin Construct Induces Tumor-Selective CD40 Activation and Tumor Regression.
Cancer Immunol Res, 10, 2022
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4O1S
 | | Crystal structure of TvoVMA intein | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION, ... | | Authors: | Aranko, A.S, Oeemig, J.S, Zhou, D, Kajander, T, Wlodawer, A, Iwai, H. | | Deposit date: | 2013-12-16 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7008 Å) | | Cite: | Structure-based engineering and comparison of novel split inteins for protein ligation.
Mol Biosyst, 10, 2014
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2YTZ
 | | Complex structure of Trm1 from Pyrococcus horikoshii with S-adenosyl-L-Homocystein in the orthorhombic crystal-lattice | | Descriptor: | N(2),N(2)-dimethylguanosine tRNA methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION | | Authors: | Ihsanawati, Shirouzu, M, Bessho, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-05 | | Release date: | 2007-10-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal Structure of tRNA N(2),N(2)-Guanosine Dimethyltransferase Trm1 from Pyrococcus horikoshii
J.Mol.Biol., 383, 2008
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6A1E
 | | Crystal structure of a synthase 1 from Santalum album in complex with ligand fps | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONATE ION, GLYCEROL, ... | | Authors: | Han, X, Ko, T.P, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-06-07 | | Release date: | 2019-06-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of a synthase 1 from Santalum album in complex with ligand
To Be Published
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2G35
 | | NMR structure of talin-PTB in complex with PIPKI | | Descriptor: | Talin-1, peptide | | Authors: | Kong, X, Wang, X, Misra, S, Qin, J. | | Deposit date: | 2006-02-17 | | Release date: | 2006-05-02 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for the Phosphorylation-regulated Focal Adhesion Targeting of Type Igamma Phosphatidylinositol Phosphate Kinase (PIPKIgamma) by Talin.
J.Mol.Biol., 359, 2006
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7VQX
 | | Cryo-EM structure of human vasoactive intestinal polypeptide receptor 2 (VIP2R) in complex with PACAP27 and Gs | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Xu, Y.N, Feng, W.B, Zhou, Q.T, Liang, A.Y, Li, J, Dai, A.T, Zhao, F.H, Yan, J.H, Chen, C.W, Li, H, Zhao, L.H, Xia, T, Jiang, Y, Xu, H.E, Yang, D.H, Wang, M.W. | | Deposit date: | 2021-10-21 | | Release date: | 2022-05-18 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | A distinctive ligand recognition mechanism by the human vasoactive intestinal polypeptide receptor 2.
Nat Commun, 13, 2022
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7NAS
 | | Bacterial 30S ribosomal subunit assembly complex state A (multibody refinement for body domain of 30S ribosome) | | Descriptor: | 16S rRNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S. | | Deposit date: | 2021-01-25 | | Release date: | 2021-07-07 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
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