5GPE
 
 | | Crystal structure of the transcription regulator PbrR691 from Ralstonia metallidurans CH34 in complex with Lead(II) | | Descriptor: | LEAD (II) ION, Transcriptional regulator, MerR-family | | Authors: | Huang, S.Q, Chen, W.Z, Wang, D, Hu, Q.Y, Liu, X.C, Gan, J.H, Chen, H. | | Deposit date: | 2016-08-01 | | Release date: | 2016-12-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural Basis for the Selective Pb(II) Recognition of Metalloregulatory Protein PbrR691
Inorg Chem, 55, 2016
|
|
6Q4G
 | | CDK2 in complex with FragLite37 | | Descriptor: | 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
|
|
6Q48
 | | CDK2 in complex with FragLite7 | | Descriptor: | 4-iodanyl-3~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
|
|
6Q4H
 | | CDK2 in complex with FragLite36 | | Descriptor: | 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
|
|
6Q4C
 | | CDK2 in complex with FragLite16 | | Descriptor: | 4-bromanyl-1,8-naphthyridine, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
|
|
6Q4F
 | | CDK2 in complex with FragLite32 | | Descriptor: | Cyclin-dependent kinase 2, PYRIDINE-2,6-DIAMINE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
|
|
6Q4A
 | | CDK2 in complex with FragLite14 | | Descriptor: | 5-iodanylpyrimidine, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
|
|
6Q4I
 | | CDK2 in complex with FragLite35 | | Descriptor: | 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
|
|
5H6X
 | | The crystal structure of RpoS fragment including a partial region 1.2 and region 2 from intracellular pathogen Legionella pneumophila | | Descriptor: | GLYCEROL, RNA polymerase sigma factor RpoS, SODIUM ION | | Authors: | Zhang, N, Chen, X, Gong, X, Ge, H. | | Deposit date: | 2016-11-15 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High-Resolution Crystal Structure of RpoS Fragment including a Partial Region 1.2 and Region 2 from the Intracellular Pathogen Legionella pneumophila
Crystals, 8, 2018
|
|
6Q4E
 | | CDK2 in complex with FragLite33 | | Descriptor: | 6-iodanyl-7~{H}-purin-2-amine, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
|
|
6Q4K
 | | CDK2 in complex with FragLite38 | | Descriptor: | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
|
|
7EGM
 | | The SRM module of SWI/SNF-nucleosome complex | | Descriptor: | SWI/SNF chromatin-remodeling complex subunit SNF5, SWI/SNF chromatin-remodeling complex subunit SWI1, SWI/SNF complex subunit SWI3, ... | | Authors: | Chen, Z.C, Chen, K.J, He, Z.Y, Ye, Y.P. | | Deposit date: | 2021-03-24 | | Release date: | 2022-01-12 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of the SWI/SNF complex bound to the nucleosome and insights into the functional modularity.
Cell Discov, 7, 2021
|
|
1DQ3
 | |
6Q3F
 | | CDK2 in complex with FragLite2 | | Descriptor: | 4-bromanylpyridin-2-amine, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
|
|
6Q4D
 | | CDK2 in complex with FragLite31 | | Descriptor: | 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
|
|
3ULX
 | |
6I7V
 | | Ribosomal protein paralogs bL31 and bL36 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ... | | Authors: | Pulk, A, Cate, J.H.D, Remme, J, Lilleorg, S, Reier, K, Peil, L, Liiv, A, Tammsalu, T. | | Deposit date: | 2018-11-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Bacterial ribosome heterogeneity: Changes in ribosomal protein composition during transition into stationary growth phase.
Biochimie, 156, 2018
|
|
6HRM
 | | E. coli 70S d2d8 stapled ribosome | | Descriptor: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | | Authors: | Schmied, W.H, Tnimov, Z, Uttamapinant, C, Rae, C.D, Fried, S.D, Chin, J.W. | | Deposit date: | 2018-09-27 | | Release date: | 2018-12-19 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Controlling orthogonal ribosome subunit interactions enables evolution of new function.
Nature, 564, 2018
|
|
5FP6
 | | Structure of cyclin-dependent kinase 2 with small-molecule ligand 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol (AT17833) in an alternate binding site. | | Descriptor: | 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Jhoti, H, Ludlow, R.F, O'Reilly, M, Saini, H.K, Tickle, I.J, Verdonk, M. | | Deposit date: | 2015-11-27 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
3NEU
 | |
6CF1
 | | Proteus vulgaris HigA antitoxin structure | | Descriptor: | Antitoxin HigA, POTASSIUM ION | | Authors: | Schureck, M.A, Hoffer, E.D, Ei Cho, S, Dunham, C.M. | | Deposit date: | 2018-02-13 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis of transcriptional regulation by the HigA antitoxin.
Mol.Microbiol., 111, 2019
|
|
2IA2
 | | The crystal structure of a putative transcriptional regulator RHA06195 from Rhodococcus sp. RHA1 | | Descriptor: | Putative Transcriptional Regulator | | Authors: | Cymborowski, M.T, Chruszcz, M, Skarina, T, Onopriyenko, O, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-09-06 | | Release date: | 2006-10-10 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structure of a putative transcriptional regulator RHA06195 from Rhodococcus sp. RHA1
To be Published
|
|
2G7U
 | | 2.3 A structure of putative catechol degradative operon regulator from Rhodococcus sp. RHA1 | | Descriptor: | transcriptional regulator | | Authors: | Zheng, H, Skarina, T, Chruszcz, M, Cymborowski, M, Grabowski, M, Onopriyenko, O, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-03-01 | | Release date: | 2006-04-04 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 2.3 A structure of putative catechol degradative operon regulator from
Rhodococcus sp. RHA1
To be Published
|
|
6H4N
 | | Structure of a hibernating 100S ribosome reveals an inactive conformation of the ribosomal protein S1 - 70S Hibernating E. coli Ribosome | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ... | | Authors: | Beckert, B, Turk, M, Czech, A, Berninghausen, O, Beckmann, R, Ignatova, Z, Plitzko, J, Wilson, N.D. | | Deposit date: | 2018-07-22 | | Release date: | 2018-09-05 | | Last modified: | 2018-10-24 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of a hibernating 100S ribosome reveals an inactive conformation of the ribosomal protein S1.
Nat Microbiol, 3, 2018
|
|
6GXM
 | | Cryo-EM structure of an E. coli 70S ribosome in complex with RF3-GDPCP, RF1(GAQ) and Pint-tRNA (State II) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Graf, M, Huter, P, Maracci, C, Peterek, M, Rodnina, M.V, Wilson, D.N. | | Deposit date: | 2018-06-27 | | Release date: | 2018-08-22 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Visualization of translation termination intermediates trapped by the Apidaecin 137 peptide during RF3-mediated recycling of RF1.
Nat Commun, 9, 2018
|
|
