2A7M
| 1.6 Angstrom Resolution Structure of the Quorum-Quenching N-Acyl Homoserine Lactone Hydrolase of Bacillus thuringiensis | Descriptor: | GLYCEROL, N-acyl homoserine lactone hydrolase, ZINC ION | Authors: | Liu, D, Lepore, B.W, Petsko, G.A, Thomas, P.W, Stone, E.M, Fast, W, Ringe, D. | Deposit date: | 2005-07-05 | Release date: | 2005-08-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Three-dimensional structure of the quorum-quenching N-acyl homoserine lactone hydrolase from Bacillus thuringiensis Proc.Natl.Acad.Sci.Usa, 102, 2005
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7M40
| Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4) | Descriptor: | Histone-binding protein RBBP4, N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine | Authors: | Perveen, S, Dong, A, Tempel, W, Zepeda-Velazquez, C, Abbey, M, McLeod, D, Marcellus, R, Mohammed, M, Ensan, D, Panagopoulos, D, Trush, V, Gibson, E, Brown, P.J, Arrowsmith, C.H, Schapira, M, Al-awar, R, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2021-03-19 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4) To Be Published
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7QLB
| SMYD3 in complex with fragment FL06268 | Descriptor: | 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-20 | Release date: | 2023-03-29 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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7QNR
| SMYD3 in complex with fragment FL01791 | Descriptor: | 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-22 | Release date: | 2023-04-05 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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7QNU
| SMYD3 in complex with fragment FL08619 | Descriptor: | BENZOYL-FORMIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-22 | Release date: | 2023-04-05 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
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3DGJ
| NNFGAIL segment from Islet Amyloid Polypeptide (IAPP or amylin) | Descriptor: | NNFGAIL peptide | Authors: | Wiltzius, J.J, Sievers, S.A, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2008-06-13 | Release date: | 2008-07-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Atomic structure of the cross-beta spine of islet amyloid polypeptide (amylin). Protein Sci., 17, 2008
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7TZO
| The apo structure of human mTORC2 complex | Descriptor: | Rapamycin-insensitive companion of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex 2 subunit MAPKAP1, ... | Authors: | Yu, Z, Chen, J, Pearce, D. | Deposit date: | 2022-02-16 | Release date: | 2023-01-11 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Interactions between mTORC2 core subunits Rictor and mSin1 dictate selective and context-dependent phosphorylation of substrate kinases SGK1 and Akt. J.Biol.Chem., 298, 2022
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1XN9
| Solution Structure of Methanosarcina mazei Protein RPS24E: The Northeast Structural Genomics Consortium Target MaR11 | Descriptor: | 30S ribosomal protein S24e | Authors: | Liu, G, Xiao, R, Parish, D, Ma, L, Sukumaran, D, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-10-04 | Release date: | 2004-12-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of Methanosarcina mazei Protein RPS24E: The Northeast Structural Genomics Consortium Target MaR11 To be Published
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7TV3
| LH2-LH3 antenna in parallel configuration embedded in a nanodisc | Descriptor: | BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ... | Authors: | Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y. | Deposit date: | 2022-02-03 | Release date: | 2023-02-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (11.4 Å) | Cite: | Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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1XI9
| Alanine aminotransferase from Pyrococcus furiosus Pfu-1397077-001 | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, putative transaminase | Authors: | Zhou, W, Tempel, W, Shah, A, Chen, L, Liu, Z.-J, Lee, D, Lin, D, Chang, S.-H, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Lee, H.-S, Poole II, F.L, Shah, C, Sugar, F.J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Adams, M.W.W, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-21 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Alanine aminotransferase from Pyrococcus furiosus Pfu-1397077-001 To be published
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7TUW
| LH2-LH3 antenna in anti parallel configuration embedded in a nanodisc | Descriptor: | BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ... | Authors: | Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y. | Deposit date: | 2022-02-03 | Release date: | 2023-02-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (8.2 Å) | Cite: | Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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3ZTN
| STRUCTURE OF INFLUENZA A NEUTRALIZING ANTIBODY SELECTED FROM CULTURES OF SINGLE HUMAN PLASMA CELLS IN COMPLEX WITH HUMAN H1 INFLUENZA HAEMAGGLUTININ. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FI6V3 ANTIBODY LIGHT CHAIN, ... | Authors: | Hubbard, P.A, Ritchie, A.J, Corti, D, Voss, J.E, Gamblin, S.J, Codoni, G, Macagno, A, Jarrossay, D, Pinna, D, Minola, A, Vanzetta, F, Silacci, C, Fernandez-Rodriguez, B.M, Agatic, G, Giacchetto-Sasselli, I, Vachieri, S.G, Sallusto, F, Collins, P.J, Haire, L.F, Temperton, N, Langedijk, J.P.M, Skehel, J.J, Lanzavecchia, A. | Deposit date: | 2011-07-12 | Release date: | 2011-08-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | A Neutralizing Antibody Selected from Plasma Cells that Binds to Group 1 and Group 2 Influenza a Hemagglutinins. Science, 333, 2011
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7U4W
| The ubiquitin-associated domain of human thirty-eight negative kinase-1 flexibly fused to the 1TEL crystallization chaperone via a 2-glycine linker and crystallized at traditional protein concentration | Descriptor: | Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1 | Authors: | Nawarathnage, S, Pedroza Romo, M.J, Smith, T, Bunn, D, Stewart, C, Doukov, T, Moody, J.D. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain. Structure, 31, 2023
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3ZKX
| TERNARY BACE2 XAPERONE COMPLEX | Descriptor: | BETA-SECRETASE 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Kuglstatter, A, Banner, D.W, Benz, J, Bertschinger, J, Burger, D, Cuppuleri, S, Debulpaep, M, Gast, A, Grabulovski, D, Gsell, B, Hilpert, H, Huber, W, Kusznir, E, Laeremans, T, Matile, H, Rufer, A, Schlatter, D, Steyeart, J, Stihle, M, Thoma, R, Weber, M, Ruf, A. | Deposit date: | 2013-01-25 | Release date: | 2013-05-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones Acta Crystallogr.,Sect.D, 69, 2013
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7UHB
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1ZLM
| Crystal structure of the SH3 domain of human osteoclast stimulating factor | Descriptor: | Osteoclast stimulating factor 1 | Authors: | Chen, L, Wang, Y, Wells, D, Toh, D, Harold, H, Zhou, J, DiGiammarino, E, Meehan, E.J. | Deposit date: | 2005-05-06 | Release date: | 2006-05-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Structure of the SH3 domain of human osteoclast-stimulating factor at atomic resolution. Acta Crystallogr.,Sect.F, 62, 2006
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3ZM6
| CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR | Descriptor: | N-(6-(4-(2h-tetrazol-5-yl)benzyl)-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,4-dichloro-5-(morpholinosulfonyl)benzamide, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE | Authors: | Hrast, M, Turk, S, Sosic, I, Knez, D, Randall, C.P, Barreteau, H, Contreras-Martel, C, Dessen, A, ONeill, A.J, Mengin-Lecreulx, D, Blanot, D, Gobec, S. | Deposit date: | 2013-02-05 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf. Eur.J.Med.Chem., 66C, 2013
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6SHN
| Escherichia coli AGPase in complex with FBP. Symmetry C1 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase | Authors: | Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E. | Deposit date: | 2019-08-07 | Release date: | 2020-02-05 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM. Curr Res Struct Biol, 2, 2020
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7P2N
| E.coli GyrB24 with inhibitor LSJ38 (EBL2684) | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Exploring the 5-Substituted 2-Aminobenzothiazole-Based DNA Gyrase B Inhibitors Active against ESKAPE Pathogens. Acs Omega, 8, 2023
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5FBN
| BTK kinase domain with inhibitor 1 | Descriptor: | 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | Authors: | Raaijmakers, H.C.A, Vu-Pham, D. | Deposit date: | 2015-12-14 | Release date: | 2016-02-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis. Acs Med.Chem.Lett., 7, 2016
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7UCP
| computationally designed macrocycle | Descriptor: | computationally designed cyclic peptide D8.3.p2 | Authors: | Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M. | Deposit date: | 2022-03-17 | Release date: | 2022-09-14 | Last modified: | 2022-09-28 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022
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6H1M
| Neutron structure of Lactobacillus brevis alcohol dehydrogenase | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase | Authors: | Hermann, J, Nowotny, P, Schrader, T.E, Biggel, P, Hekmat, D, Weuster-Botz, D. | Deposit date: | 2018-07-12 | Release date: | 2018-12-12 | Last modified: | 2024-01-24 | Method: | NEUTRON DIFFRACTION (2.15 Å) | Cite: | Neutron and X-ray crystal structures of Lactobacillus brevis alcohol dehydrogenase reveal new insights into hydrogen-bonding pathways. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6H67
| Yeast RNA polymerase I elongation complex stalled by cyclobutane pyrimidine dimer (CPD) | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Sanz-Murillo, M, Xu, J, Gil-Carton, D, Wang, D, Fernandez-Tornero, C. | Deposit date: | 2018-07-26 | Release date: | 2018-08-29 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of RNA polymerase I stalling at UV light-induced DNA damage. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6H6G
| Crystal Structure of TcdB2-TccC3 without hypervariable C-terminal region | Descriptor: | TcdB2,TccC3 | Authors: | Gatsogiannis, C, Merino, F, Roderer, D, Balchin, D, Schubert, E, Kuhlee, A, Hayer-Hartl, M, Raunser, S. | Deposit date: | 2018-07-27 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.004 Å) | Cite: | Tc toxin activation requires unfolding and refolding of a beta-propeller. Nature, 563, 2018
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6H68
| Yeast RNA polymerase I elongation complex stalled by cyclobutane pyrimidine dimer (CPD) with fully-ordered A49 | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Sanz-Murillo, M, Xu, J, Gil-Carton, D, Wang, D, Fernandez-Tornero, C. | Deposit date: | 2018-07-26 | Release date: | 2018-08-29 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural basis of RNA polymerase I stalling at UV light-induced DNA damage. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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