4B7T
| Glycogen Synthase Kinase 3 Beta complexed with Axin Peptide and Leucettine L4 | Descriptor: | (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)imidazol-4-one, AXIN-1, GLYCOGEN SYNTHASE KINASE-3 BETA | Authors: | Oberholzer, A.E, Pearl, L.H. | Deposit date: | 2012-08-22 | Release date: | 2013-01-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.772 Å) | Cite: | Selectivity, Cocrystal Structures, and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B. J.Med.Chem., 55, 2012
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4GW8
| Human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and Leucettine L41 | Descriptor: | 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, Consensus peptide (Pimtide), ... | Authors: | Filippakopoulos, P, Bullock, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-01 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selectivity, cocrystal structures, and neuroprotective properties of leucettines, a family of protein kinase inhibitors derived from the marine sponge alkaloid leucettamine B. J.Med.Chem., 55, 2012
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3PGG
| Crystal structure of cryptosporidium parvum u6 snrna-associated sm-like protein lsm5 | Descriptor: | U6 snRNA-associated Sm-like protein LSm5. SM domain | Authors: | Dong, A, Gao, M, Zhao, Y, Lew, J, Wasney, G.A, Kozieradzki, I, Vedadi, M, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-01 | Release date: | 2011-02-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Genome-Scale Protein Expression and Structural Biology of Plasmodium Falciparum and Related Apicomplexan Organisms. Mol.Biochem.Parasitol., 151, 2007
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1FVU
| CRYSTAL STRUCTURE OF BOTROCETIN | Descriptor: | BOTROCETIN ALPHA CHAIN, BOTROCETIN BETA CHAIN, MAGNESIUM ION | Authors: | Sen, U, Vasudevan, S, Subbarao, G, McClintoc, R.A, Celikel, R, Ruggeri, Z.M, Varughese, K.I. | Deposit date: | 2000-09-20 | Release date: | 2001-02-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the von Willebrand factor modulator botrocetin. Biochemistry, 40, 2001
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1P8K
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6G49
| Crystal structure of the periplasmic domain of TgpA from Pseudomonas aeruginosa | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Protein-glutamine gamma-glutamyltransferase | Authors: | Milani, M, Mastrangelo, E, Uruburu, M. | Deposit date: | 2018-03-27 | Release date: | 2019-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and functional characterization of TgpA, a critical protein for the viability of Pseudomonas aeruginosa. J.Struct.Biol., 205, 2019
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6G4H
| Crystal structure of the periplasmic domain of TgpA from Pseudomonas aeruginosa bound to ethylmercury | Descriptor: | ETHYL MERCURY ION, PHOSPHATE ION, Protein-glutamine gamma-glutamyltransferase | Authors: | Milani, M, Mastrangelo, E, Uruburu, M. | Deposit date: | 2018-03-27 | Release date: | 2019-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional characterization of TgpA, a critical protein for the viability of Pseudomonas aeruginosa. J.Struct.Biol., 205, 2019
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3EH8
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2XWY
| Structure of MK-3281, a Potent Non-Nucleoside Finger-Loop Inhibitor, in complex with the Hepatitis C Virus NS5B Polymerase | Descriptor: | (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE | Authors: | Di Marco, S, Baiocco, P. | Deposit date: | 2010-11-06 | Release date: | 2010-12-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Discovery of (7R)-14-Cyclohexyl-7-{[2-(Dimethylamino)Ethyl] (Methyl)Amino}-7,8-Dihydro-6H-Indolo[1,2-E][1,5] Benzoxazocine -11-Carboxylic Acid (Mk-3281), a Potent and Orally Bioavailable Finger-Loop Inhibitor of the Hepatitis C Virus Ns5B Polymerase J.Med.Chem., 54, 2011
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4Y0W
| YeaZ from Pseudomonas aeruginosa | Descriptor: | SODIUM ION, YeaZ | Authors: | Milani, M. | Deposit date: | 2015-02-06 | Release date: | 2016-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of YeaZ from Pseudomonas aeruginosa. Biochem.Biophys.Res.Commun., 470, 2016
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6ENE
| OmpF orthologue from Enterobacter cloacae (OmpE35) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Outer membrane protein (Porin), SULFATE ION, ... | Authors: | van den Berg, B, Abellon-Ruiz, J, Basle, A. | Deposit date: | 2017-10-04 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins. Acs Infect Dis., 4, 2018
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7U46
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7U1B
| Crystal structure of EstG in complex with tantalum cluster | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, Beta-lactamase domain-containing protein, ... | Authors: | Chen, Z, Gabelli, S.B. | Deposit date: | 2022-02-20 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | EstG is a novel esterase required for cell envelope integrity in Caulobacter. Curr.Biol., 33, 2023
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7U1C
| Structure of EstG crystalized with SO4 and Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION, ... | Authors: | Gabelli, S.B, Chen, Z. | Deposit date: | 2022-02-20 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | EstG is a novel esterase required for cell envelope integrity in Caulobacter. Curr.Biol., 33, 2023
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7UDA
| Structure of the EstG | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION | Authors: | Chen, Z, Gabelli, S.B. | Deposit date: | 2022-03-18 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | EstG is a novel esterase required for cell envelope integrity in Caulobacter. Curr.Biol., 33, 2023
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7UF8
| Structure of CtdP in complex with penicimutamide E and NADP+ | Descriptor: | 1,2-ETHANEDIOL, CtdP, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Rivera, S, Liu, Z, Newmister, S.A, Gao, X, Sherman, D.H. | Deposit date: | 2022-03-22 | Release date: | 2023-02-22 | Last modified: | 2023-04-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An NmrA-like enzyme-catalysed redox-mediated Diels-Alder cycloaddition with anti-selectivity. Nat.Chem., 15, 2023
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7U47
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7U4D
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5YC9
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6BNL
| Crystal structure of TCR-MHC-like molecule | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Le Nours, J, Rossjohn, J. | Deposit date: | 2017-11-16 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Dual Modifications of alpha-Galactosylceramide Synergize to Promote Activation of Human Invariant Natural Killer T Cells and Stimulate Anti-tumor Immunity. Cell Chem Biol, 25, 2018
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6BNK
| Crystal structure of TCR-MHC-like molecule | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Le Nours, J, Rossjohn, J. | Deposit date: | 2017-11-16 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Dual Modifications of alpha-Galactosylceramide Synergize to Promote Activation of Human Invariant Natural Killer T Cells and Stimulate Anti-tumor Immunity. Cell Chem Biol, 25, 2018
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3TB2
| 1-Cys peroxidoxin from Plasmodium Yoelli | Descriptor: | 1,2-ETHANEDIOL, 1-Cys peroxiredoxin, GLYCEROL, ... | Authors: | Qiu, W, Artz, J.D, Vedadi, M, Sharma, S, Houston, S, Lew, J, Wasney, G, Amani, M, Xu, X, Bray, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Hui, R, Bochkarev, A, Structural Genomics Consortium (SGC) | Deposit date: | 2011-08-04 | Release date: | 2011-10-19 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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8AYH
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8B8X
| Crystal structure of PPARG and NCOR2 with SR10221, an inverse agonist | Descriptor: | (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-10-05 | Release date: | 2022-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
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8B93
| Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 15b) | Descriptor: | 4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | Authors: | Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-10-05 | Release date: | 2022-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
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