5DDL
 
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6KY7
 | | Crystal structure of yak lactoperoxidase at 2.27 A resolution | | Descriptor: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Singh, P.K, Viswanathan, V, Sharma, P, Rani, C, Sharma, S, Singh, T.P. | | Deposit date: | 2019-09-16 | | Release date: | 2019-10-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of yak lactoperoxidase at 2.27 A resolution
To Be Published
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6QSW
 | | Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine. | | Descriptor: | Complement factor B, SULFATE ION, ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine | | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | | Deposit date: | 2019-02-22 | | Release date: | 2019-03-27 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7WCP
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7APG
 | | Crystal structure of JAK3 in complex with FM587 (compound 9a) | | Descriptor: | 1,2-ETHANEDIOL, 1-phenylurea, Tyrosine-protein kinase JAK3, ... | | Authors: | Chaikuad, A, Forster, M, Gehringer, M, Laufer, S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-10-16 | | Release date: | 2020-12-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Novel Class of Covalent Dual Inhibitors Targeting the Protein Kinases BMX and BTK.
Int J Mol Sci, 21, 2020
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7MZK
 | | SARS-CoV-2 receptor binding domain bound to Fab WCSL 129 and Fab PDI 96 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ... | | Authors: | Pymm, P, Dietrich, M.H, Tan, L.L, Chan, L.J, Tham, W.H. | | Deposit date: | 2021-05-24 | | Release date: | 2021-10-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain.
Cell Rep, 37, 2021
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5UEB
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5JAL
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6L7X
 | | Crystal structure of Cet1 from Trypanosoma cruzi in complex with #951 ligand | | Descriptor: | 1,3-dimethyl-7-propyl-purine-2,6-dione, SULFATE ION, mRNA_triPase domain-containing protein | | Authors: | Kuwabara, N, Ho, K. | | Deposit date: | 2019-11-03 | | Release date: | 2020-06-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Crystal structures of the RNA triphosphatase fromTrypanosoma cruziprovide insights into how it recognizes the 5'-end of the RNA substrate.
J.Biol.Chem., 295, 2020
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6GJ8
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852 | | Descriptor: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | | Deposit date: | 2018-05-16 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4RT1
 | | Structure of the Alg44 PilZ domain (R95A mutant) from Pseudomonas aeruginosa PAO1 in complex with c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Alginate biosynthesis protein Alg44, CHLORIDE ION, ... | | Authors: | Whitfield, G.B, Whitney, J.C. | | Deposit date: | 2014-11-12 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Dimeric c-di-GMP Is Required for Post-translational Regulation of Alginate Production in Pseudomonas aeruginosa.
J.Biol.Chem., 290, 2015
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7DV6
 | | Discovery of Functionally Selective Transforming Growth Factor beta Type II Receptor (TGF-beta RII) Inhibitors as Anti-Fibrosis Agents | | Descriptor: | 5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine, TGF-beta receptor type-2 | | Authors: | Nishihata, J, Nomura, A, Miwa, S, Doi, S, Adachi, T. | | Deposit date: | 2021-01-12 | | Release date: | 2021-06-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Discovery of Selective Transforming Growth Factor beta Type II Receptor Inhibitors as Antifibrosis Agents.
Acs Med.Chem.Lett., 12, 2021
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6PCW
 | | Human PIM1 bound to benzothiophene inhibitor 213 | | Descriptor: | 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide, GLYCEROL, Peptide, ... | | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-06-18 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | PIM1 bound to benzothiophene inhibitor
To Be Published
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5TPP
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6UEL
 | | CPS1 bound to allosteric inhibitor H3B-193 | | Descriptor: | Carbamoyl-phosphate synthase [ammonia], mitochondrial, N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide, ... | | Authors: | Larsen, N.A, Nguyen, T.V. | | Deposit date: | 2019-09-21 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Small Molecule Inhibition of CPS1 Activity through an Allosteric Pocket.
Cell Chem Biol, 27, 2020
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7EBC
 | | Crystal structure of Isocitrate lyase-1 from Saccaromyces cervisiae | | Descriptor: | Isocitrate lyase, MAGNESIUM ION, TETRAETHYLENE GLYCOL | | Authors: | Hiragi, K, Nishio, K, Moriyama, S, Hamaguchi, T, Mizoguchi, A, Yonekura, K, Tani, K, Mizushima, T. | | Deposit date: | 2021-03-09 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the targeting specificity of ubiquitin ligase for S. cerevisiae isocitrate lyase but not C. albicans isocitrate lyase.
J.Struct.Biol., 213, 2021
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2X78
 | | Human foamy virus integrase - catalytic core. | | Descriptor: | INTEGRASE | | Authors: | Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Legrand, P, Silhan, J, Lewit-Bentley, A. | | Deposit date: | 2010-02-24 | | Release date: | 2010-08-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase
Acta Crystallogr.,Sect.F, 66, 2010
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6F4C
 | | Nicotiana benthamiana alpha-galactosidase | | Descriptor: | alpha-galactosidase | | Authors: | Kytidou, K, Aerts, J.M.F.G, Pannu, N.S. | | Deposit date: | 2017-11-29 | | Release date: | 2018-04-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Nicotiana benthamianaalpha-galactosidase A1.1 can functionally complement human alpha-galactosidase A deficiency associated with Fabry disease.
J. Biol. Chem., 293, 2018
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4Z0R
 | | Crystal Structure of the CW domain of ZCWPW2 mutant F78R in complex with histone H3 peptide | | Descriptor: | 1,2-ETHANEDIOL, Histone H3.1, SULFATE ION, ... | | Authors: | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-03-26 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of the CW domain of ZCWPW2 mutant F78R in complex with histone H3 peptide
To be Published
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5NGK
 | | The endo-beta1,6-glucanase BT3312 | | Descriptor: | Glucosylceramidase | | Authors: | Basle, A, Temple, M, Cuskin, F, Lowe, E, Gilbert, H. | | Deposit date: | 2017-03-17 | | Release date: | 2017-05-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Bacteroidetes locus dedicated to fungal 1,6-beta-glucan degradation: Unique substrate conformation drives specificity of the key endo-1,6-beta-glucanase.
J. Biol. Chem., 292, 2017
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9KPJ
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6BDG
 | | HFQ monomer in spacegroup p6 at 1.93 angstrom resolution | | Descriptor: | RNA-binding protein Hfq | | Authors: | Brown, C, Zhang, K, Seo, C, Ellis, M.J, Hanniford, D.B, Junop, M. | | Deposit date: | 2017-10-23 | | Release date: | 2017-11-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.964 Å) | | Cite: | HFQ monomer in spacegroup p6 at 1.93 angstrom resolution
To Be Published
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6PGZ
 | | MTSL labelled T4 lysozyme pseudo-wild type V75C mutant | | Descriptor: | CHLORIDE ION, Endolysin, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Authors: | Cuneo, M.J, Myles, D.A, Li, L. | | Deposit date: | 2019-06-25 | | Release date: | 2020-07-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Making hydrogens stand out: Enhanced neutron diffraction from biological crystals using dynamic nuclear polarization
To be published
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6VLZ
 | | Structure of the human mitochondrial ribosome-EF-G1 complex (ClassI) | | Descriptor: | 12s rRNA, 16s rRNA, 28S ribosomal protein S10, ... | | Authors: | Sharma, M.R, Koripella, R.K, Agrawal, R.K. | | Deposit date: | 2020-01-27 | | Release date: | 2020-08-05 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Structures of the human mitochondrial ribosome bound to EF-G1 reveal distinct features of mitochondrial translation elongation.
Nat Commun, 11, 2020
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5NJH
 | | Triazolopyrimidines stabilize microtubules by binding to the vinca inhibitor site of tubulin | | Descriptor: | 5-chloranyl-7-[(1~{R},5~{S})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Sharma, A, Calvo, G.S, Prota, A.E, Diaz, J.F, Steinmetz, M.O. | | Deposit date: | 2017-03-28 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.394 Å) | | Cite: | Triazolopyrimidines Are Microtubule-Stabilizing Agents that Bind the Vinca Inhibitor Site of Tubulin.
Cell Chem Biol, 24, 2017
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