6GUI
| Siderophore hydrolase EstB mutant H267N from Aspergillus fumigatus | Descriptor: | GLYCEROL, Siderophore esterase IroE-like, putative | Authors: | Ecker, F, Haas, H, Groll, M, Huber, E.M. | Deposit date: | 2018-06-19 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases. Angew. Chem. Int. Ed. Engl., 57, 2018
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1IQB
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3ETD
| Structure of glutamate dehydrogenase complexed with bithionol | Descriptor: | 2,2'-sulfanediylbis(4,6-dichlorophenol), GLUD1 protein, GLUTAMIC ACID, ... | Authors: | Li, M, Smith, T.J. | Deposit date: | 2008-10-07 | Release date: | 2009-06-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel Inhibitors Complexed with Glutamate Dehydrogenase: ALLOSTERIC REGULATION BY CONTROL OF PROTEIN DYNAMICS J.Biol.Chem., 284, 2009
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3EQA
| Catalytic domain of glucoamylase from aspergillus niger complexed with tris and glycerol | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Glucoamylase, ... | Authors: | Lee, J, Paetzel, M. | Deposit date: | 2008-09-30 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the catalytic domain of glucoamylase from Aspergillus niger. Acta Crystallogr.,Sect.F, 67, 2011
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6TSH
| Beta-galactosidase in complex with deoxygalacto-nojirimycin | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Beta-galactosidase, MAGNESIUM ION | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | Deposit date: | 2019-12-20 | Release date: | 2020-01-08 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25, 2020
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6HTQ
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6TTZ
| Structure of the ClpP:ADEP4-complex from Staphylococcus aureus (open state) | Descriptor: | ATP-dependent Clp protease proteolytic subunit, N-[(2S)-3-(3,5-difluorophenyl)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide | Authors: | Malik, I.T, Pereira, R, Vielberg, M.-T, Mayer, C, Straetener, J, Thomy, D, Famulla, K, Castro, H.C, Sass, P, Groll, M, Broetz-Oesterheldt, H. | Deposit date: | 2019-12-30 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Functional Characterisation of ClpP Mutations Conferring Resistance to Acyldepsipeptide Antibiotics in Firmicutes. Chembiochem, 21, 2020
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4MTC
| Crystal structure of human C53A DJ-1 | Descriptor: | 1,2-ETHANEDIOL, Protein DJ-1 | Authors: | Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. | Deposit date: | 2013-09-19 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | DJ-1 Is a Copper Chaperone Acting on SOD1 Activation. J.Biol.Chem., 289, 2014
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3UIL
| Crystal Structure of the complex of PGRP-S with lauric acid at 2.2 A resolution | Descriptor: | GLYCEROL, LAURIC ACID, Peptidoglycan recognition protein 1 | Authors: | Dube, D, Sharma, P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2011-11-05 | Release date: | 2012-07-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of the binding of fatty acids to peptidoglycan recognition protein, PGRP-S through second binding site Arch.Biochem.Biophys., 529, 2013
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6TTH
| PKM2 in complex with L-threonine | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Pyruvate kinase PKM, THREONINE | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | Deposit date: | 2019-12-27 | Release date: | 2020-01-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25, 2020
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6TUG
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6HTS
| Cryo-EM structure of the human INO80 complex bound to nucleosome | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | Authors: | Ayala, R, Willhoft, O, Aramayo, R.J, Wilkinson, M, McCormack, E.A, Ocloo, L, Wigley, D.B, Zhang, X. | Deposit date: | 2018-10-04 | Release date: | 2018-11-07 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structure and regulation of the human INO80-nucleosome complex. Nature, 556, 2018
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6TTQ
| PKM2 in complex with Compound 10 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 1-propan-2-yl-3-pyridin-4-yl-urea, Pyruvate kinase PKM | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | Deposit date: | 2019-12-30 | Release date: | 2020-01-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25, 2020
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1J3N
| Crystal Structure of 3-oxoacyl-(acyl-carrier protein) Synthase II from Thermus thermophilus HB8 | Descriptor: | 3-oxoacyl-(acyl-carrier protein) synthase II, CITRIC ACID, MAGNESIUM ION | Authors: | Bagautdinov, B, Miyano, M, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-02-10 | Release date: | 2003-03-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of 3-oxoacyl-(acyl-carrier protein) synthase II from Thermus thermophilus HB8. Acta Crystallogr.,Sect.F, 64, 2008
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3ESB
| cut-1c; NCN-Pt-Pincer-Cutinase Hybrid | Descriptor: | (2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+), CHLORIDE ION, Cutinase 1 | Authors: | Rutten, L, Mannie, J.P.B.A, Lutz, M, Gros, P. | Deposit date: | 2008-10-05 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Solid-state structural characterization of cutinase-ECE-pincer-metal hybrids Chemistry, 15, 2009
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6GNX
| Crystal structure of the MAJIN-TERB2 heterotetrameric complex - selenomethionine derivative | Descriptor: | Membrane-anchored junction protein, Telomere repeats-binding bouquet formation protein 2 | Authors: | Gurusaran, M, Dunce, J.M, Sen, L.T, Davies, O.R. | Deposit date: | 2018-06-01 | Release date: | 2018-12-12 | Last modified: | 2020-04-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of meiotic telomere attachment to the nuclear envelope by MAJIN-TERB2-TERB1. Nat Commun, 9, 2018
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2P0E
| Human nicotinamide riboside kinase 1 in complex with tiazofurin | Descriptor: | (1R)-1-[4-(AMINOCARBONYL)-1,3-THIAZOL-2-YL]-1,4-ANHYDRO-D-RIBITOL, CHLORIDE ION, Nicotinamide riboside kinase 1, ... | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Brenner, C, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-28 | Release date: | 2007-05-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Nicotinamide Riboside Kinase Structures Reveal New Pathways to NAD(+). Plos Biol., 5, 2007
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6HY7
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6HUI
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6RWU
| Fragment AZ-010 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, Cellular tumor antigen p53, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-06-06 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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3R5Z
| Structure of a Deazaflavin-dependent reductase from Nocardia farcinica, with co-factor F420 | Descriptor: | COENZYME F420, Putative uncharacterized protein, SULFATE ION | Authors: | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | Deposit date: | 2011-03-20 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.503 Å) | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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6HYI
| Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi at 1.4 A resolution in complex with inosine | Descriptor: | INOSINE, Protein kinase A regulatory subunit | Authors: | Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M. | Deposit date: | 2018-10-22 | Release date: | 2019-11-13 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.39944851 Å) | Cite: | Purine nucleosides replace cAMP in allosteric regulation of PKA in trypanosomatid pathogens. Elife, 12, 2024
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6RWZ
| Structure of Zika virus NS3 helicase in complex with ADP-BeF3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MANGANESE (II) ION, ... | Authors: | Ge, M, Molt Jr, R.W, Jenkins, H.T, Blackburn, G.M, Jin, Y, Antson, A.A. | Deposit date: | 2019-06-07 | Release date: | 2020-07-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Octahedral Trifluoromagnesate, an Anomalous Metal Fluoride Species, Stabilizes the Transition State in a Biological Motor. Acs Catalysis, 11, 2021
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6HYQ
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4N2E
| Crystal structure of Protein Arginine Deiminase 2 (D123N, 10 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2 | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.858 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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