3KQQ
| Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid | Descriptor: | 2-oxo-1,2-dihydropyridine-3-carboxylic acid, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
|
|
5EEQ
| Grb7 SH2 with the G7-B1 bicyclic peptide inhibitor | Descriptor: | Bicyclic Peptide Inhibitor, Growth factor receptor-bound protein 7, PHOSPHATE ION | Authors: | Ambaye, N.D, Watson, G.M, Wilce, M.C.J, Wilce, G.M. | Deposit date: | 2015-10-23 | Release date: | 2016-06-15 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unexpected involvement of staple leads to redesign of selective bicyclic peptide inhibitor of Grb7. Sci Rep, 6, 2016
|
|
5EIZ
| |
3KW3
| |
5EGS
| Human PRMT6 with bound fragment-type inhibitor | Descriptor: | 2-[4-(phenylmethyl)piperidin-1-yl]ethanamine, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Steuber, H, Egner, U, Kania, J, Wu, H, Brown, P.J. | Deposit date: | 2015-10-27 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of a Potent Class I Protein Arginine Methyltransferase Fragment Inhibitor. J.Med.Chem., 59, 2016
|
|
5EI8
| Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-29 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
|
|
5EKY
| Crystal structure of deoxyribose-phosphate aldolase from Escherichia coli (K58E-Y96W mutant) | Descriptor: | 1,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Deoxyribose-phosphate aldolase | Authors: | Classen, T, Dick, M, Pietruszka, J, Weiergraeber, O.H. | Deposit date: | 2015-11-04 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Mechanism-based inhibition of an aldolase at high concentrations of its natural substrate acetaldehyde: structural insights and protective strategies. Chem Sci, 7, 2016
|
|
5ELC
| Cholera toxin El Tor B-pentamer in complex with Lewis-y | Descriptor: | BICINE, CALCIUM ION, Cholera enterotoxin subunit B, ... | Authors: | Heggelund, J.E, Burschowsky, D, Krengel, U. | Deposit date: | 2015-11-04 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence. Plos Pathog., 12, 2016
|
|
3KQL
| |
3KQY
| |
3KT8
| Crystal structure of S. cerevisiae tryptophanyl-tRNA synthetase in complex with L-tryptophanamide | Descriptor: | L-TRYPTOPHANAMIDE, SULFATE ION, Tryptophanyl-tRNA synthetase, ... | Authors: | Zhou, M, Dong, X, Zhong, C, Shen, N, Ding, J. | Deposit date: | 2009-11-24 | Release date: | 2010-02-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of Saccharomyces cerevisiae tryptophanyl-tRNA synthetase: new insights into the mechanism of tryptophan activation and implications for anti-fungal drug design Nucleic Acids Res., 38, 2010
|
|
5EQB
| Crystal structure of lanosterol 14-alpha demethylase with intact transmembrane domain bound to itraconazole | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Monk, B.C, Tomasiak, T.M, Keniya, M.V, Huschmann, F.U, Tyndall, J.D.A, O'Connell III, J.D, Cannon, R.D, Finer-Morre, J, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | Deposit date: | 2015-11-12 | Release date: | 2016-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
3KXM
| Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor K74 | Descriptor: | Casein kinase II subunit alpha, N-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | Deposit date: | 2009-12-03 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update. Curr Top Med Chem, 11, 2011
|
|
5EFM
| Beclin 1 Flexible-helical Domian (FHD) (141-171) | Descriptor: | Beclin-1, SULFATE ION | Authors: | Sinha, S, Mei, Y. | Deposit date: | 2015-10-23 | Release date: | 2016-07-20 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Conformational Flexibility Enables the Function of a BECN1 Region Essential for Starvation-Mediated Autophagy. Biochemistry, 55, 2016
|
|
7MDX
| LolCDE nucleotide-free | Descriptor: | (2R)-2-(tridecanoyloxy)propyl hexadecanoate, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, ... | Authors: | Sharma, S, Liao, M. | Deposit date: | 2021-04-06 | Release date: | 2021-08-11 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins Nat Commun, 12, 2021
|
|
5EEL
| Grb7 SH2 with bicyclic peptide inhibitor | Descriptor: | Bicyclic Peptide Inhibitor, FORMIC ACID, Growth factor receptor-bound protein 7, ... | Authors: | Watson, G.M, Gunzburg, M.J, Wilce, M.C.J, Wilce, J.A. | Deposit date: | 2015-10-23 | Release date: | 2016-06-15 | Last modified: | 2018-12-26 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Unexpected involvement of staple leads to redesign of selective bicyclic peptide inhibitor of Grb7. Sci Rep, 6, 2016
|
|
3KPB
| Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine. | Descriptor: | GLYCEROL, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100 | Authors: | Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Cruz, L.A. | Deposit date: | 2009-11-16 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair. J.Mol.Biol., 396, 2010
|
|
3L0D
| |
3KQO
| Crystal Structure of hPNMT in Complex AdoHcy and 6-Chloropurine | Descriptor: | 6-chloro-9H-purine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
|
|
3KR1
| |
3KQN
| |
3KQU
| |
5EPA
| Crystal structure of non-heme alpha ketoglutarate dependent carbocyclase SnoK from nogalamycin biosynthesis | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, MAGNESIUM ION, ... | Authors: | Selvaraj, B, Lindqvist, Y, Siitonen, V, Niiranen, L, Metsa-Ketela, M, Schneider, G. | Deposit date: | 2015-11-11 | Release date: | 2016-05-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Divergent non-heme iron enzymes in the nogalamycin biosynthetic pathway. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5EHW
| human carbonic anhydrase II in complex with ligand | Descriptor: | (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... | Authors: | Ren, B. | Deposit date: | 2015-10-29 | Release date: | 2016-03-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.392 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
|
|
8AZ3
| IAPP S20G growth-phase fibril polymorph 4PF-CU | Descriptor: | Islet amyloid polypeptide | Authors: | Wilkinson, M, Xu, Y, Gallardo, R, Radford, S.E, Ranson, N.A. | Deposit date: | 2022-09-05 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural evolution of fibril polymorphs during amyloid assembly. Cell, 186, 2023
|
|