4D2R
| Human IGF in complex with a Dyrk1B inhibitor | Descriptor: | CHLORIDE ION, INSULIN-LIKE GROWTH FACTOR 1 RECEPTOR, N-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine | Authors: | Debreczeni, J.E, Kettle, J.G, Ballard, P, Bardelle, C, Butterworth, S, Colclough, N, Critchlow, S.E, Fairley, G, Fillery, S, Graham, M.A, Goodwin, L, Guichard, S, Hudson, K, Mahmood, A, Vincent, J, Ward, R.A, Whittaker, D. | Deposit date: | 2014-05-12 | Release date: | 2015-04-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Optimization of a Novel Series of Dyrk1B Kinase Inhibitors to Explore a Mek Resistance Hypothesis. J.Med.Chem., 58, 2015
|
|
7RMV
| Yeast CTP Synthase (Ura7) H360R Filament bound to Substrates | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, URIDINE 5'-TRIPHOSPHATE | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | Deposit date: | 2021-07-28 | Release date: | 2021-11-24 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation. Elife, 10, 2021
|
|
7RNR
| Yeast CTP Synthase (Ura8) Bundle Bound to Substrates at Low pH | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, MAGNESIUM ION, ... | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | Deposit date: | 2021-07-29 | Release date: | 2021-11-24 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation. Elife, 10, 2021
|
|
2KUY
| Structure of Glycocin F | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prebacteriocin glycocin F | Authors: | Venugopal, H, Edwards, P, Schwalbe, M, Claridge, J, Stepper, J, Patchett, M, Loo, T, Libich, D, Norris, G, Pascal, S. | Deposit date: | 2010-03-01 | Release date: | 2011-05-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural, dynamic, and chemical characterization of a novel s-glycosylated bacteriocin. Biochemistry, 50, 2011
|
|
1W4E
| Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions | Descriptor: | DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE | Authors: | Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R. | Deposit date: | 2004-07-23 | Release date: | 2005-07-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family. J.Mol.Biol., 353, 2005
|
|
1W4K
| Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions | Descriptor: | PYRUVATE DEHYDROGENASE E2 | Authors: | Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R. | Deposit date: | 2004-07-23 | Release date: | 2005-07-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family. J.Mol.Biol., 353, 2005
|
|
1W9R
| Solution Structure of Choline Binding Protein A, Domain R2, the Major Adhesin of Streptococcus pneumoniae | Descriptor: | CHOLINE BINDING PROTEIN A | Authors: | Luo, R, Mann, B, Lewis, W.S, Rowe, A, Heath, R, Stewart, M.L, Hamburger, A.E, Bjorkman, P.J, Sivakolundu, S, Lacy, E.R, Tuomanen, E, Kriwacki, R.W. | Deposit date: | 2004-10-15 | Release date: | 2005-02-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of Choline Binding Protein A, the Major Adhesin of Streptococcus Pneumoniae Embo J., 24, 2005
|
|
1WA8
| Solution Structure of the CFP-10.ESAT-6 Complex. Major Virulence Determinants of Pathogenic Mycobacteria | Descriptor: | 6 KDA EARLY SECRETORY ANTIGENIC TARGET (ESAT-6), ESAT-6 LIKE PROTEIN ESXB | Authors: | Renshaw, P.S, Lightbody, K.L, Veverka, V, Muskett, F.W, Kelly, G, Frenkiel, T.A, Gordon, S.V, Hewinson, R.G, Burke, B, Norman, J, Williamson, R.A, Carr, M.D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2004-10-25 | Release date: | 2005-06-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and Function of the Complex Formed by the Tuberculosis Virulence Factors Cfp-10 and Esat-6 Embo J., 24, 2005
|
|
1W4I
| Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions | Descriptor: | PYRUVATE DEHYDROGENASE E2 | Authors: | Ferguson, N, Sharpe, T.D, Schartau, P.J, Allen, M.D, Johnson, C.M, Sato, S, Fersht, A.R. | Deposit date: | 2004-07-23 | Release date: | 2005-07-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family. J.Mol.Biol., 353, 2005
|
|
3DSI
| Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOT at 1.60 A resolution | Descriptor: | (9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid, Cytochrome P450 74A, chloroplast, ... | Authors: | Lee, D.S, Nioche, P, Raman, C.S. | Deposit date: | 2008-07-12 | Release date: | 2008-08-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes Nature, 455, 2008
|
|
2KSY
| Solution nmr structure of sensory rhodopsin II | Descriptor: | RETINAL, Sensory rhodopsin II | Authors: | Gautier, A, Mott, H.R, Bostock, M.J, Kirkpatrick, J.P, Nietlispach, D. | Deposit date: | 2010-01-14 | Release date: | 2010-06-02 | Last modified: | 2015-06-10 | Method: | SOLUTION NMR | Cite: | Structure determination of the seven-helix transmembrane receptor sensory rhodopsin II by solution NMR spectroscopy. Nat.Struct.Mol.Biol., 17, 2010
|
|
7RMC
| Yeast CTP Synthase (Ura7) filament bound to CTP at low pH | Descriptor: | CTP synthase 1, CYTIDINE-5'-TRIPHOSPHATE | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | Deposit date: | 2021-07-27 | Release date: | 2021-11-24 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation. Elife, 10, 2021
|
|
7RL0
| Yeast CTP Synthase (URA8) Filament bound to ATP/UTP at low pH | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, MAGNESIUM ION, ... | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | Deposit date: | 2021-07-22 | Release date: | 2021-11-24 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation. Elife, 10, 2021
|
|
8PMR
| NADase from Aspergillus fumigatus with mutated calcium binding motif (D219A/E220A) | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M. | Deposit date: | 2023-06-29 | Release date: | 2023-11-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Novel Calcium-Binding Motif Stabilizes and Increases the Activity of Aspergillus fumigatus Ecto-NADase. Biochemistry, 62, 2023
|
|
8BFE
| A dimeric de novo coiled-coil assembly: PK-2 (CC-TypeN-LaUbUcLd) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CC-TypeN-LaUbUcLd, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2022-10-25 | Release date: | 2022-11-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
|
|
3DUU
| Crystal structure of SAG506-01, orthorhombic, twinned, crystal 2 | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ... | Authors: | Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V. | Deposit date: | 2008-07-17 | Release date: | 2008-12-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments. Acta Crystallogr.,Sect.D, 64, 2008
|
|
1WAD
| CYTOCHROME C3 WITH 4 HEME GROUPS AND ONE CALCIUM ION | Descriptor: | CALCIUM ION, CYTOCHROME C3, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Matias, P.M, Morais, J, Coelho, R, Carrondo, M.A, Wilson, K, Dauter, Z, Sieker, L. | Deposit date: | 1996-01-10 | Release date: | 1997-01-27 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cytochrome c3 from Desulfovibrio gigas: crystal structure at 1.8 A resolution and evidence for a specific calcium-binding site. Protein Sci., 5, 1996
|
|
4ZCW
| Structure of Human Enolase 2 in complex with SF2312 | Descriptor: | Gamma-enolase, MAGNESIUM ION, [(3S,5S)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid | Authors: | Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L. | Deposit date: | 2015-04-16 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | SF2312 is a natural phosphonate inhibitor of enolase. Nat.Chem.Biol., 12, 2016
|
|
1W2Q
| |
5QIY
| Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102954 | Descriptor: | N'-acetyl-2-chlorobenzohydrazide, UNKNOWN LIGAND, Ubiquitin thioesterase OTUB2 | Authors: | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | Deposit date: | 2018-08-10 | Release date: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Covalent fragment group deposition To Be Published
|
|
3DWU
| |
8BLU
| The PDZ domains of human SDCBP | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALANINE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Daniel-Mozo, M, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2022-11-10 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The PDZ domains of human SDCBP To Be Published
|
|
5QIC
| PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z30620520 | Descriptor: | FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1, cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone | Authors: | MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2018-05-22 | Release date: | 2018-07-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
|
|
5QIU
| Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0103011 | Descriptor: | 1,2-ETHANEDIOL, N-{3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-yl}acetamide, UNKNOWN LIGAND, ... | Authors: | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | Deposit date: | 2018-08-10 | Release date: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Covalent fragment group deposition To Be Published
|
|
8BNT
| The DH domain of ARHGEF2 bound to RhoA | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, Rho guanine nucleotide exchange factor 2, ... | Authors: | Bradshaw, W.J, Katis, V.L, Grosjean, H, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2022-11-25 | Release date: | 2022-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The DH domain of ARHGEF2 bound to RhoA To Be Published
|
|