6Y0G
 
 | | Structure of human ribosome in classical-PRE state | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | | Authors: | Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A. | | Deposit date: | 2020-02-07 | | Release date: | 2020-04-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes.
Cell Rep, 31, 2020
|
|
4WWM
 | | X-ray crystal structure of Sulfolobus solfataricus Urm1 | | Descriptor: | SULFATE ION, Uncharacterized protein | | Authors: | Bray, S.M, Anjum, S.R, Blackwood, J.K, Kilkenny, M.L, Coelho, M.A, Foster, B.M, Pellegrini, L, Robinson, N.P. | | Deposit date: | 2014-11-11 | | Release date: | 2015-09-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Involvement of a eukaryotic-like ubiquitin-related modifier in the proteasome pathway of the archaeon Sulfolobus acidocaldarius.
Nat Commun, 6, 2015
|
|
6Y5K
 | |
6YBK
 | | Structure of MBP-Mcl-1 in complex with compound 4d | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | Authors: | Dokurno, P, Surgenor, A.E, Murray, J.B. | | Deposit date: | 2020-03-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
|
|
6OHI
 | | Crystal Structure of the Debrominase Bmp8 (Apo) | | Descriptor: | Debrominase Bmp8, SULFATE ION | | Authors: | Chekan, J.R, Moore, B.S. | | Deposit date: | 2019-04-05 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Bacterial Tetrabromopyrrole Debrominase Shares a Reductive Dehalogenation Strategy with Human Thyroid Deiodinase.
Biochemistry, 58, 2019
|
|
7Q1F
 | | CPAP:TUBULIN:IE5 ALPHAREP COMPLEX | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CITRATE ANION, Centromere protein J, ... | | Authors: | Campanacci, V, Gigant, b. | | Deposit date: | 2021-10-19 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.347 Å) | | Cite: | Structural convergence for tubulin binding of CPAP and vinca domain microtubule inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
5KSF
 | |
5HXB
 | | Cereblon in complex with DDB1, CC-885, and GSPT1 | | Descriptor: | 1-(3-chloro-4-methylphenyl)-3-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)urea, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ... | | Authors: | Chamberlain, P.P, Matyskiela, M, Pagarigan, B. | | Deposit date: | 2016-01-30 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | A novel cereblon modulator recruits GSPT1 to the CRL4(CRBN) ubiquitin ligase.
Nature, 535, 2016
|
|
8CJ4
 | | Crystal structure of ClpP from Staphylococcus epidermidis, tetradecamer | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit | | Authors: | Alves Franca, B, Rohde, H, Betzel, C. | | Deposit date: | 2023-02-12 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular insights into the dynamic modulation of bacterial ClpP function and oligomerization by peptidomimetic boronate compounds.
Sci Rep, 14, 2024
|
|
7ZI0
 | | Structure of human Smoothened in complex with cholesterol and SAG | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide, CHOLESTEROL, ... | | Authors: | Byrne, E.F.X, Woolley, R.E, Ansell, B, Sansom, M.S.P, Newstead, S, Siebold, C. | | Deposit date: | 2022-04-07 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Patched 1 regulates Smoothened by controlling sterol binding to its extracellular cysteine-rich domain.
Sci Adv, 8, 2022
|
|
6Y5O
 | | The crystal structure of glycogen phosphorylase in complex with 20 | | Descriptor: | 2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form | | Authors: | Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2020-02-25 | | Release date: | 2020-08-19 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
|
|
5IQ5
 | | NMR solution structure of Mayaro virus macro domain | | Descriptor: | Macro domain | | Authors: | Melekis, E, Tsika, A.C, Bentrop, D, Papageorgiou, N, Coutard, B, Spyroulias, G.A. | | Deposit date: | 2016-03-10 | | Release date: | 2017-12-20 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Deciphering the Nucleotide and RNA Binding Selectivity of the Mayaro Virus Macro Domain.
J.Mol.Biol., 431, 2019
|
|
5ISN
 | | NMR solution structure of macro domain from Venezuelan equine encephalitis virus | | Descriptor: | Non-structural polyprotein | | Authors: | Makrynitsa, G.I, Ntonti, D, Marousis, K.D, Tsika, A.C, Papageorgiou, N, Coutard, B, Bentrop, D, Spyroulias, G.A. | | Deposit date: | 2016-03-15 | | Release date: | 2017-11-29 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Conformational plasticity of the VEEV macro domain is important for binding of ADP-ribose.
J.Struct.Biol., 206, 2019
|
|
6OQB
 | | Co-crystal structure of Mcl1 with inhibitor 10 | | Descriptor: | (4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X. | | Deposit date: | 2019-04-26 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
|
|
8EHH
 | | Crystal structure of the class A extended-spectrum beta-lactamase CTX-M-96 in complex with relebactam at 1.03 Angstrom resolution | | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Power, P, Ghiglione, B, Bonomo, R.A, Rodriguez, M.M, Gutkind, G, Klinke, S. | | Deposit date: | 2022-09-14 | | Release date: | 2023-09-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Biochemical and structural evidences of the activity of relebactam as inhibitor of the extended-spectrum beta-lactamase CTX-M-96.
To be published
|
|
5I3U
 | |
1ASY
 | | CLASS II AMINOACYL TRANSFER RNA SYNTHETASES: CRYSTAL STRUCTURE OF YEAST ASPARTYL-TRNA SYNTHETASE COMPLEXED WITH TRNA ASP | | Descriptor: | ASPARTYL-tRNA SYNTHETASE, T-RNA (75-MER) | | Authors: | Ruff, M, Cavarelli, J, Rees, B, Krishnaswamy, S, Thierry, J.C, Moras, D. | | Deposit date: | 1995-01-19 | | Release date: | 1995-05-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Class II aminoacyl transfer RNA synthetases: crystal structure of yeast aspartyl-tRNA synthetase complexed with tRNA(Asp).
Science, 252, 1991
|
|
5I3A
 | | Crystal Structure of tyrosinase from Bacillus megaterium with configuration A of hydroquinone inhibitor in the active site | | Descriptor: | Tyrosinase, ZINC ION, benzene-1,4-diol | | Authors: | Kanteev, M, Deri, B, Adir, N, Fishman, A. | | Deposit date: | 2016-02-10 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The unravelling of the complex pattern of tyrosinase inhibition.
Sci Rep, 6, 2016
|
|
6Y55
 | | The crystal structure of glycogen phosphorylase in complex with 43 | | Descriptor: | 2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form | | Authors: | Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2020-02-24 | | Release date: | 2020-08-19 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
|
|
6Y5L
 | |
5KZN
 | | Metabotropic Glutamate Receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 2 | | Authors: | Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P. | | Deposit date: | 2016-07-25 | | Release date: | 2016-12-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
|
|
6O6G
 | | Co-crystal structure of Mcl1 with inhibitor | | Descriptor: | (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X. | | Deposit date: | 2019-03-06 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
|
|
6AGT
 | | Crystal structure of PfKRS complexed with chromone inhibitor | | Descriptor: | COBALT (II) ION, FORMIC ACID, LYSINE, ... | | Authors: | Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C. | | Deposit date: | 2018-08-14 | | Release date: | 2019-03-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.953 Å) | | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
7PZZ
 | | Crystal structure of serine hydroxymethyltransferase, isoform 2 from Arabidopsis thaliana (SHM2) | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Ruszkowski, M, Sekula, B. | | Deposit date: | 2021-10-13 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Arabidopsis thaliana serine hydroxymethyltransferases: functions, structures, and perspectives.
Plant Physiol Biochem., 187, 2022
|
|
6U8L
 | |
