7SHE
| Cryo-EM structure of human GPR158 | Descriptor: | (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, ... | Authors: | Patil, D.N, Singh, S, Singh, A.K, Martemyanov, K.A. | Deposit date: | 2021-10-08 | Release date: | 2021-12-01 | Last modified: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure of human GPR158 receptor coupled to the RGS7-G beta 5 signaling complex. Science, 375, 2022
|
|
5MAS
| Peptaibol Bergofungin A | Descriptor: | Bergofungin A | Authors: | Gessmann, R, Petratos, K. | Deposit date: | 2016-11-04 | Release date: | 2017-02-22 | Last modified: | 2017-03-01 | Method: | X-RAY DIFFRACTION (0.84 Å) | Cite: | A natural, single-residue substitution yields a less active peptaibiotic: the structure of bergofungin A at atomic resolution. Acta Crystallogr F Struct Biol Commun, 73, 2017
|
|
2KR2
| |
7S3G
| Structure of cofactor pyridoxal 5-phosphate bound human ornithine decarboxylase in complex with citrate at the catalytic center | Descriptor: | CITRIC ACID, Ornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Zhou, X.E, Suino-Powell, K, Schultz, C.R, Aleiwi, B, Brunzelle, J.S, Lamp, J, Vega, I.E, Ellsworth, E, Bachmann, A.S, Melcher, K. | Deposit date: | 2021-09-06 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural basis of binding and inhibition of ornithine decarboxylase by 1-amino-oxy-3-aminopropane. Biochem.J., 478, 2021
|
|
6IMX
| Crystal structure of V30M mutated transthyretin in complex with 18-Crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Transthyretin | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitors. J. Med. Chem., 62, 2019
|
|
4XIU
| |
3KWY
| |
4XWR
| |
4V18
| SeMet structure of a novel carbohydrate binding module from glycoside hydrolase family 5 glucanase from Ruminococcus flavefaciens FD-1 | Descriptor: | CARBOHYDRATE BINDING MODULE | Authors: | Venditto, I, Centeno, M.S.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2014-09-25 | Release date: | 2016-01-20 | Last modified: | 2016-07-13 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
4XEW
| Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound | Descriptor: | 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Finzel, B.C, Dai, R. | Deposit date: | 2014-12-25 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA. J.Med.Chem., 58, 2015
|
|
6I8S
| |
5MHL
| |
6I2S
| Crystal structure of the SucA domain of Mycobacterium smegmatis KGD (R802A) in complex with GarA, following 2-oxoglutarate soak | Descriptor: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, CALCIUM ION, Glycogen accumulation regulator GarA, ... | Authors: | Wagner, T, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2018-11-01 | Release date: | 2019-05-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling. Sci.Signal., 12, 2019
|
|
4XJS
| Human CD38 complexed with inhibitor 1 [6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide] | Descriptor: | 5-O-phosphono-alpha-D-ribofuranose, 6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | Authors: | Shewchuk, L.M, Deaton, D, Stewart, E. | Deposit date: | 2015-01-09 | Release date: | 2015-08-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of 4-Amino-8-quinoline Carboxamides as Novel, Submicromolar Inhibitors of NAD-Hydrolyzing Enzyme CD38. J.Med.Chem., 58, 2015
|
|
6IBO
| Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, ALA-VAL-SER-ARG-ALA, PHOSPHATE ION, ... | Authors: | Gundogdu, M, van Aalten, D.M.F. | Deposit date: | 2018-11-30 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
5M64
| RNA Polymerase I elongation complex with A49 tandem winged helix domain | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Tafur, L, Sadian, Y, Hoffmann, N.A, Jakobi, A.J, Wetzel, R, Hagen, W.J.H, Sachse, C, Muller, C.W. | Deposit date: | 2016-10-24 | Release date: | 2016-12-21 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Molecular Structures of Transcribing RNA Polymerase I. Mol. Cell, 64, 2016
|
|
5MBW
| CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH Pep#3 | Descriptor: | BACE1 INHIBITOR PEPTIDE Pep#3, Beta-secretase 1, CHLORIDE ION | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | Deposit date: | 2016-11-09 | Release date: | 2017-09-27 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport. EBioMedicine, 24, 2017
|
|
5MQF
| Cryo-EM structure of a human spliceosome activated for step 2 of splicing (C* complex) | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ATP-dependent RNA helicase DHX8, Cell division cycle 5-like protein, ... | Authors: | Bertram, K, Hartmuth, K, Kastner, B. | Deposit date: | 2016-12-20 | Release date: | 2017-03-22 | Last modified: | 2018-11-21 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | Cryo-EM structure of a human spliceosome activated for step 2 of splicing. Nature, 542, 2017
|
|
4XKW
| Tailspike protein mutant D339N of E. coli bacteriophage HK620 in complex with pentasaccharide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | Authors: | Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2015-01-12 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein. to be published
|
|
3S3J
| |
4V1K
| SeMet structure of a novel carbohydrate binding module from glycoside hydrolase family 9 (Cel9A) from Ruminococcus flavefaciens FD-1 | Descriptor: | 2-HYDROXY BUTANE-1,4-DIOL, CALCIUM ION, CARBOHYDRATE BINDING MODULE, ... | Authors: | Venditto, I, Goyal, A, Thompson, A, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2014-09-29 | Release date: | 2016-01-20 | Last modified: | 2018-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
6I2T
| CryoEM reconstruction of full-length, fully-glycosylated human butyrylcholinesterase tetramer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, lamellipodin-derived polyproline peptide | Authors: | Leung, M.R, van Bezouwen, L.S, Schopfer, L.M, Sussman, J.L, Silman, I, Lockridge, O, Zeev-Ben-Mordehai, T. | Deposit date: | 2018-11-01 | Release date: | 2018-12-19 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Cryo-EM structure of the native butyrylcholinesterase tetramer reveals a dimer of dimers stabilized by a superhelical assembly. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6I2R
| Crystal structure of the SucA domain of Mycobacterium smegmatis KGD (alpha-ketoglutarate decarboxylase), mutant R802A, in complex with GarA | Descriptor: | CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ... | Authors: | Wagner, T, Bellinzoni, M, Alzari, P.M. | Deposit date: | 2018-11-01 | Release date: | 2019-05-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling. Sci.Signal., 12, 2019
|
|
6I83
| Crystal structure of phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018366 | Descriptor: | 4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret | Authors: | Burschowsky, D, Seewooruthun, C, Bayliss, R, Carr, M.D, Echalier, A, Jordan, A.M. | Deposit date: | 2018-11-19 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RETV804MKinase. Acs Med.Chem.Lett., 11, 2020
|
|
4XXG
| |