6VL4
 
 | | Crystal Structure of mPGES-1 bound to DG-031 | | Descriptor: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid, Prostaglandin E synthase, TETRAETHYLENE GLYCOL, ... | | Authors: | Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H. | | Deposit date: | 2020-01-22 | | Release date: | 2020-12-02 | | Last modified: | 2020-12-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
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8AQI
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8AU3
 | | c-MET Y1234E,Y1235E mutant in complex with Tepotinib | | Descriptor: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, DI(HYDROXYETHYL)ETHER, Hepatocyte growth factor receptor, ... | | Authors: | Graedler, U, Lammens, A. | | Deposit date: | 2022-08-25 | | Release date: | 2023-09-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
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8OL4
 | | Structure of the C-terminal domains of the Bdellovibrio bacteriovorus Bd2439 fibre in complex with GlcNAc | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell wall surface anchor family protein, ... | | Authors: | Caulton, S.G, Lovering, A.L. | | Deposit date: | 2023-03-30 | | Release date: | 2023-10-25 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Bdellovibrio bacteriovorus uses chimeric fibre proteins to recognize and invade a broad range of bacterial hosts.
Nat Microbiol, 9, 2024
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8AU4
 | | Structural insights reveal a heterotetramer between oncogenic K-Ras4BG12V and Rgl2, a RalA/B activator | | Descriptor: | Ral guanine nucleotide dissociation stimulator-like 2 | | Authors: | Tariq, M, Ikeya, T, Togashi, N, Fairall, L, Alejo, C.B, Kamei, S, Alonso, B.R, Campillo, M.A.M, Hudson, A, Ito, Y, Schwabe, J, Dominguez, C, Tanaka, K. | | Deposit date: | 2022-08-25 | | Release date: | 2023-08-23 | | Last modified: | 2023-10-25 | | Method: | SOLUTION NMR | | Cite: | Structural insights into the complex of oncogenic KRas4B G12V and Rgl2, a RalA/B activator.
Life Sci Alliance, 7, 2024
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4QRH
 | | Molecular mechanism and evolution of guanylate kinase regulation by (p)ppGpp | | Descriptor: | 1,2-ETHANEDIOL, Guanylate kinase, MAGNESIUM ION, ... | | Authors: | Liu, K, Krasny, K, Myers, A.R, Satyshur, K.A, Keck, J.L, Wnag, J.D. | | Deposit date: | 2014-07-01 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Molecular Mechanism and Evolution of Guanylate Kinase Regulation by (p)ppGpp.
Mol.Cell, 57, 2015
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8AK9
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8AK7
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6Z68
 | | A novel metagenomic alpha/beta-fold esterase | | Descriptor: | Acetyl esterase/lipase, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Bollinger, A, Thies, S, Hoeppner, A, Kobus, S, Jaeger, K.-E, Smits, S.H.J. | | Deposit date: | 2020-05-28 | | Release date: | 2020-12-30 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structures of a novel family IV esterase in free and substrate-bound form.
Febs J., 288, 2021
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6N94
 | | Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-amino(dethia)-CoA | | Descriptor: | DI(HYDROXYETHYL)ETHER, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ... | | Authors: | Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R. | | Deposit date: | 2018-11-30 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
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8AKG
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8K1L
 | | Cryo-EM structure of Na+,K+-ATPase alpha2 from Artemia salina in cation-free E2P form | | Descriptor: | Na+,K+-ATPase alpha2KK, Na+,K+-ATPase beta2, TETRAFLUOROALUMINATE ION | | Authors: | Abe, K, Artigas, P. | | Deposit date: | 2023-07-11 | | Release date: | 2023-11-29 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | A Na pump with reduced stoichiometry is up-regulated by brine shrimp in extreme salinities.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7XQP
 | | PSI-LHCI-LHCII-Lhcb9 supercomplex of Physcomitrella patens | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Zhang, S, Tang, K.L, Li, X.Y, Wang, W.D, Yan, Q.J, Shen, L.L, Kuang, T.Y, Han, G.Y, Shen, J.R, Zhang, X. | | Deposit date: | 2022-05-08 | | Release date: | 2023-04-26 | | Last modified: | 2023-06-07 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Structural insights into a unique PSI-LHCI-LHCII-Lhcb9 supercomplex from moss Physcomitrium patens.
Nat.Plants, 9, 2023
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4WXS
 | | Crystal Structure of the E396D SNP Variant of the Myocilin Olfactomedin Domain | | Descriptor: | CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | Authors: | Donegan, R.K, Freeman, D.M, Lieberman, R.L. | | Deposit date: | 2014-11-14 | | Release date: | 2015-04-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for misfolding in myocilin-associated glaucoma.
Hum.Mol.Genet., 24, 2015
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6YU1
 | | CLK3 bound with beta-carboline KH-CARB13 (Cpd 3) | | Descriptor: | (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, ... | | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-25 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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6WB6
 | | 2.05 A resolution structure of transferrin 1 from Manduca sexta | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Weber, J.J, Gorman, M.J. | | Deposit date: | 2020-03-26 | | Release date: | 2020-11-25 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural insight into the novel iron-coordination and domain interactions of transferrin-1 from a model insect, Manduca sexta.
Protein Sci., 30, 2021
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4QUT
 | | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) complexed with Histone H4-K(ac)12 | | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, Histone H4, ... | | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-07-12 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Atad2 is a generalist facilitator of chromatin dynamics in embryonic stem cells.
J Mol Cell Biol, 8, 2016
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4D3L
 | | SeMet structure of a novel carbohydrate binding module from glycoside hydrolase family 9 (Cel9A) from Ruminococcus flavefaciens FD-1 in the orthorhombic form | | Descriptor: | (3S)-3-HYDROXYHEPTANEDIOIC ACID, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Venditto, I, Goyal, A, Thompson, A, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | | Deposit date: | 2014-10-22 | | Release date: | 2016-01-20 | | Last modified: | 2016-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5O9T
 | | HsNMT1 in complex with CoA and acetylated-NCFSKPK peptide | | Descriptor: | 1IP-CYS-PHE-SER-LYS-PRO-ARG, CHLORIDE ION, GLYCEROL, ... | | Authors: | Dian, C, Meinnel, T, Giglione, C. | | Deposit date: | 2017-06-20 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern.
Nat. Chem. Biol., 14, 2018
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7U6H
 | | HalD with ornithine and alpha-ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Swenson, C.V, Neugebauer, M.E, Kissman, E.N, Chang, M.C.Y. | | Deposit date: | 2022-03-04 | | Release date: | 2023-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biocatalytic control of site-selectivity and chain length-selectivity in radical amino acid halogenases.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6VPU
 | | 1.90 Angstrom Resolution Crystal Structure Phosphoadenosine Phosphosulfate Reductase (CysH) from Vibrio vulnificus | | Descriptor: | DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, Phosphoadenosine phosphosulfate reductase, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Wiersum, G, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-02-04 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.90 Angstrom Resolution Crystal Structure Phosphoadenosine Phosphosulfate Reductase (CysH) from Vibrio vulnificus
To Be Published
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4X9C
 | | 1.4A crystal structure of Hfq from Methanococcus jannaschii | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Nikulin, A.D, Tishchenko, S.V, Nikonova, S.V, Murina, V.N, Mihailina, A.O, Lekontseva, N.V. | | Deposit date: | 2014-12-11 | | Release date: | 2014-12-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Characterization of RNA-binding properties of the archaeal Hfq-like protein from Methanococcus jannaschii.
J. Biomol. Struct. Dyn., 35, 2017
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3ZGQ
 | | Crystal structure of human interferon-induced protein IFIT5 | | Descriptor: | DI(HYDROXYETHYL)ETHER, INTERFERON-INDUCED PROTEIN WITH TETRATRICOPEPTIDE REPEATS 5 | | Authors: | Katibah, G.E, Lee, H.J, Huizar, J.P, Vogan, J.M, Alber, T, Collins, K. | | Deposit date: | 2012-12-19 | | Release date: | 2013-01-23 | | Last modified: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | TRNA Binding, Structure, and Localization of the Human Interferon-Induced Protein Ifit5.
Mol.Cell, 49, 2013
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8AXG
 | | Crystal structure of Fusobacterium nucleatum fusolisin protease | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fusolisin, ... | | Authors: | Isupov, M.N, Wiener, R, Rouvinski, A, Fahoum, J, Kumar, M, Read, R.J. | | Deposit date: | 2022-08-31 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Crystal structure of Fusobacterium nucleatum fusolisin protease
To Be Published
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4NEY
 | | Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR277 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR277, tetrabutylphosphonium | | Authors: | Guan, R, Lin, Y.-R, Koga, N, Koga, R, Castellanos, J, Seetharaman, J, Maglaqui, M, Sahdev, S, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-10-30 | | Release date: | 2014-01-15 | | Method: | X-RAY DIFFRACTION (2.323 Å) | | Cite: | Northeast Structural Genomics Consortium Target OR277
To be published
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