7Q39
 
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2WPA
 | | Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a Potent CDK Inhibitor Suitable for Intravenous Dosing | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE, ... | | Authors: | Brasca, M.G, Albanese, C, Alzani, R, Amici, R, Avanzi, N, Ballinari, D, Bischoff, J, Borghi, D, Casale, E, Croci, V, Fiorentini, F, Isacchi, A, Mercurio, C, Nesi, M, Orsini, P, Pastori, W, Pesenti, E, Pevarello, P, Roussel, P, Varasi, M, Volpi, D, Vulpetti, A, Ciomei, M. | | Deposit date: | 2009-08-03 | | Release date: | 2010-02-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Optimization of 6,6-Dimethyl Pyrrolo[3,4-C]Pyrazoles: Identification of Pha-793887, a Potent Cdk Inhibitor Suitable for Intravenous Dosing.
Bioorg.Med.Chem., 18, 2010
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2WTG
 | | High resolution 3D structure of C.elegans globin-like protein GLB-1 | | Descriptor: | GLOBIN-LIKE PROTEIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Geuens, E, Hoogewijs, D, Nardini, M, Vinck, E, Pesce, A, Kiger, L, Fago, A, Tilleman, L, De Henau, S, Marden, M, Weber, R.E, Van Doorslaer, S, Vanfleteren, J, Moens, L, Bolognesi, M, Dewilde, S. | | Deposit date: | 2009-09-16 | | Release date: | 2010-04-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Globin-Like Proteins in Caenorhabditis Elegans: In Vivo Localization, Ligand Binding and Structural Properties.
Bmc Biochem., 11, 2010
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6ZRR
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6F5D
 | | Trypanosoma brucei F1-ATPase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP synthase gamma subunit, ATP synthase subunit alpha, ... | | Authors: | Montgomery, M.G, Gahura, O, Leslie, A.G.W, Zikova, A, Walker, J.E. | | Deposit date: | 2017-12-01 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | ATP synthase fromTrypanosoma bruceihas an elaborated canonical F1-domain and conventional catalytic sites.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1H37
 | | Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SQUALENE--HOPENE CYCLASE, {4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE | | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | | Deposit date: | 2002-08-24 | | Release date: | 2003-08-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
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1H3A
 | | Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme | | Descriptor: | (2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-5-FLUORO-1-METHYL-1H-INDAZOL-6-YL]OXY}-N-METHYL-2-BUTEN-1-AMINE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SQUALENE--HOPENE CYCLASE | | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | | Deposit date: | 2002-08-24 | | Release date: | 2003-08-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
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4Y8O
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6ZUV
 | | Notum fragment 286 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-07-23 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | 5-Phenyl-1,3,4-oxadiazol-2(3 H )-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit.
J.Med.Chem., 63, 2020
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6ZZT
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5VI4
 | | IL-33/ST2/IL-1RAcP ternary complex structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor accessory protein, Interleukin-1 receptor-like 1, ... | | Authors: | Guenther, S, Sundberg, E.J. | | Deposit date: | 2017-04-13 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.792 Å) | | Cite: | IL-1 Family Cytokines Use Distinct Molecular Mechanisms to Signal through Their Shared Co-receptor.
Immunity, 47, 2017
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5D1C
 | | Crystal structure of D233G-Y306F HDAC8 in complex with a tetrapeptide substrate | | Descriptor: | GLYCEROL, HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, ... | | Authors: | Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. | | Deposit date: | 2015-08-04 | | Release date: | 2015-10-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.422 Å) | | Cite: | Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
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7A8H
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6BN9
 | | Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET70 PROTAC | | Descriptor: | Bromodomain-containing protein 4, DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, ... | | Authors: | Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S. | | Deposit date: | 2017-11-16 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (4.382 Å) | | Cite: | Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
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7A80
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5D69
 | | Human calpain PEF(S) with (2Z,2Z')-2,2'-disulfanediylbis(3-(6-iodoindol-3-yl)acrylic acid) bound | | Descriptor: | (2E,2'Z)-2,2'-disulfanediylbis[3-(4-iodophenyl)prop-2-enoic acid], CALCIUM ION, Calpain small subunit 1, ... | | Authors: | Adams, S.E, Robinson, E.J, Rizkallah, P.J, Miller, D.J, Hallett, M.B, Allemann, R.K. | | Deposit date: | 2015-08-11 | | Release date: | 2015-09-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Conformationally restricted calpain inhibitors.
Chem Sci, 6, 2015
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6ZYZ
 | | Structure of the borneol dehydrogenases of Salvia rosmarinus with NAD+ | | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, Borneol dehydrogenase from salvia rosmarinus, CHLORIDE ION, ... | | Authors: | Dimos, N, Helmer, C.P.O, Loll, B. | | Deposit date: | 2020-08-03 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | A Structural View on the Stereospecificity of Plant Borneol-Type Dehydrogenases.
Chemcatchem, 13, 2021
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2WHM
 | | Cellvibrio japonicus Man26A E121A and E320G double mutant in complex with mannobiose | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-1,4-BETA MANNANASE, MAN26A, ... | | Authors: | Durcos, V.M.A, Davies, G.J, Flint, J.E, Gilbert, H.J. | | Deposit date: | 2009-05-05 | | Release date: | 2009-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
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6BNB
 | | Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET57 PROTAC | | Descriptor: | Bromodomain-containing protein 4, DNA damage-binding protein 1, Protein cereblon, ... | | Authors: | Nowak, R.P, DeAngelo, S.L, Buckley, D, Ishoey, M, He, Z, Zhang, T, Bradner, J.E, Fischer, E.S. | | Deposit date: | 2017-11-16 | | Release date: | 2018-05-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (6.343 Å) | | Cite: | Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
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4RGZ
 | | Crystal structure of recombinant prolidase from Thermococcus sibiricus at P21221 spacegroup | | Descriptor: | PHOSPHATE ION, Xaa-Pro aminopeptidase, ZINC ION | | Authors: | Timofeev, V.I, Korgenevsky, D.A, Gorbacheva, M.A, Boyko, K.M, Slutsky, E, Rakitina, T.V, Lipkin, A.V, Popov, V.O. | | Deposit date: | 2014-10-01 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of recombinant prolidase from Thermococcus sibiricus in space group P21221.
Acta Crystallogr.,Sect.F, 71, 2015
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4Y7M
 | | T6SS protein TssM C-terminal domain (835-1129) from EAEC | | Descriptor: | Hi113 protein, SULFATE ION, Type VI secretion protein IcmF | | Authors: | Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C. | | Deposit date: | 2015-02-15 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
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7A8I
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4JI5
 | | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | | Descriptor: | 16S rRNA, MAGNESIUM ION, RIBOSOMAL PROTEIN S10, ... | | Authors: | Demirci, H, Wang, L, Murphy IV, F, Murphy, E, Carr, J, Blanchard, S, Jogl, G, Dahlberg, A.E, Gregory, S.T. | | Deposit date: | 2013-03-05 | | Release date: | 2013-11-06 | | Last modified: | 2013-12-04 | | Method: | X-RAY DIFFRACTION (3.85 Å) | | Cite: | The central role of protein S12 in organizing the structure of the decoding site of the ribosome.
Rna, 19, 2013
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8RVP
 | | Proteasomal late precursor complex from pre1-1, state 2 | | Descriptor: | Probable proteasome subunit alpha type-7, Proteasome assembly chaperone 2, Proteasome chaperone 1, ... | | Authors: | Mark, E, Ramos, P.C, Kayser, F, Hoeckendorff, J, Dohmen, R.J, Wendler, P. | | Deposit date: | 2024-02-01 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (2.28 Å) | | Cite: | Structural roles of Ump1 and beta-subunit propeptides in proteasome biogenesis.
Life Sci Alliance, 7, 2024
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5H2H
 | | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 40 ns after photoexcitation | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | | Deposit date: | 2016-10-15 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
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