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
|
|
6PZM
 | |
4HG7
 | | Crystal Structure of an MDM2/Nutlin-3a complex | | Descriptor: | 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Noble, M.E.M, Anil, B, Riedinger, C, Endicott, J.A. | | Deposit date: | 2012-10-07 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structure of an MDM2-Nutlin-3a complex solved by the use of a validated MDM2 surface-entropy reduction mutant.
Acta Crystallogr.,Sect.D, 69, 2013
|
|
8QXX
 | | HCMV DNA polymerase processivity factor UL44 phosphorylated NLS 410-433 bound to mouse importin alpha 2 | | Descriptor: | DNA polymerase processivity factor, Importin subunit alpha-1 | | Authors: | Cross, E.M, Marin, O, Ariawan, D, Aragao, D, Cozza, G, Di Iorio, E, Forwood, J.K, Alvisi, G. | | Deposit date: | 2023-10-25 | | Release date: | 2023-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural determinants of phosphorylation-dependent nuclear transport of HCMV DNA polymerase processivity factor UL44.
Febs Lett., 598, 2024
|
|
8QXW
 | | HCMV DNA polymerase processivity factor UL44 unphosphorylated NLS 410-433 bound to mouse importin alpha 2 | | Descriptor: | DNA polymerase processivity factor, Importin subunit alpha-1 | | Authors: | Cross, E.M, Marin, O, Ariawan, D, Aragao, D, Cozza, G, Di Iorio, E, Forwood, J.K, Alvisi, G. | | Deposit date: | 2023-10-25 | | Release date: | 2023-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural determinants of phosphorylation-dependent nuclear transport of HCMV DNA polymerase processivity factor UL44.
Febs Lett., 598, 2024
|
|
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
|
|
4I1M
 | | Crystal structure of the Legionella pneumophila GAP domain of LepB | | Descriptor: | DI(HYDROXYETHYL)ETHER, LepB | | Authors: | Streller, A, Gazdag, E.M, Vetter, I.R, Goody, R.S, Itzen, A. | | Deposit date: | 2012-11-21 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.804 Å) | | Cite: | Mechanism of Rab1b deactivation by the Legionella pneumophila GAP LepB.
Embo Rep., 14, 2013
|
|
8SPJ
 | |
3O6G
 | | Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | | Descriptor: | 1,2-ETHANEDIOL, GLUTAMIC ACID, Glutamate receptor 2, ... | | Authors: | Maclean, J.K.F, Campbell, R.A, Cumming, I.A, Gillen, K.J, Gillespie, J, Jamieson, C, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Martin, F, Moir, E.M, Morrow, J.A, Pantling, J, Rankovic, Z, Smith, L. | | Deposit date: | 2010-07-29 | | Release date: | 2010-09-15 | | Last modified: | 2017-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A novel series of positive modulators of the AMPA receptor: structure-based lead optimization.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
8SXO
 | |
183D
 | | X-RAY STRUCTURE OF A DNA DECAMER CONTAINING 7, 8-DIHYDRO-8-OXOGUANINE | | Descriptor: | DNA (5'-D(*CP*CP*AP*(8OG)P*CP*GP*CP*TP*GP*G)-3') | | Authors: | Lipscomb, L.A, Peek, M.E, Morningstar, M.L, Verghis, S.M, Miller, E.M, Rich, A, Essigmann, J.M, Williams, L.D. | | Deposit date: | 1994-08-01 | | Release date: | 1995-02-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray structure of a DNA decamer containing 7,8-dihydro-8-oxoguanine.
Proc.Natl.Acad.Sci.USA, 92, 1995
|
|
3P4D
 | | Alternatingly modified 2'Fluoro RNA octamer f/rC4G4 | | Descriptor: | 5'-R(*(CFZ)P*CP*(CFZ)P*CP*(GF2)P*GP*(GF2)P*G)-3' | | Authors: | Pallan, P.S, Greene, E.M, Jicman, P.A, Pandey, R.K, Manoharan, M, Rozners, E, Egli, M. | | Deposit date: | 2010-10-06 | | Release date: | 2011-01-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Unexpected origins of the enhanced pairing affinity of 2'-fluoro-modified RNA.
Nucleic Acids Res., 39, 2011
|
|
4FUL
 | | PI3 Kinase Gamma bound to a pyrmidine inhibitor | | Descriptor: | 4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Gopalsamy, A, Bennett, E.M, Shi, M, Zhang, W.G, Bard, J, Yu, K. | | Deposit date: | 2012-06-28 | | Release date: | 2012-10-17 | | Last modified: | 2012-10-31 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Identification of pyrimidine derivatives as hSMG-1 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
|
|
4G92
 | | CCAAT-binding complex from Aspergillus nidulans with DNA | | Descriptor: | DNA, HAPB protein, HapE, ... | | Authors: | Huber, E.M, Scharf, D.H, Hortschansky, P, Groll, M, Brakhage, A.A. | | Deposit date: | 2012-07-23 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | DNA Minor Groove Sensing and Widening by the CCAAT-Binding Complex.
Structure, 20, 2012
|
|
1ATG
 | | AZOTOBACTER VINELANDII PERIPLASMIC MOLYBDATE-BINDING PROTEIN | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, PERIPLASMIC MOLYBDATE-BINDING PROTEIN, ... | | Authors: | Lawson, D.M, Pau, R.N, Williams, C.E.M, Mitchenall, L.A. | | Deposit date: | 1997-08-14 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Ligand size is a major determinant of specificity in periplasmic oxyanion-binding proteins: the 1.2 A resolution crystal structure of Azotobacter vinelandii ModA.
Structure, 6, 1998
|
|
3PF1
 | | E. coli FadL Asp348Ala mutant | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, Long-chain fatty acid transport protein | | Authors: | Vandenberg, B, Lepore, B.W, Hearn, E.M, Indic, M, Patel, D. | | Deposit date: | 2010-10-27 | | Release date: | 2011-05-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | From the Cover: Ligand-gated diffusion across the bacterial outer membrane.
Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
3PG0
 | | Crystal structure of designed 3-fold symmetric protein, ThreeFoil | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SODIUM ION, ... | | Authors: | Lobsanov, Y.D, Broom, A, Howell, P.L, Rose, D.R, Meiering, E.M. | | Deposit date: | 2010-10-29 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Modular evolution and the origins of symmetry: reconstruction of a three-fold symmetric globular protein.
Structure, 20, 2012
|
|
3PGF
 | | Crystal structure of maltose bound MBP with a conformationally specific synthetic antigen binder (sAB) | | Descriptor: | GLYCEROL, IMIDAZOLE, Maltose-binding periplasmic protein, ... | | Authors: | Kossiakoff, A.A, Duguid, E.M, Sandstrom, A. | | Deposit date: | 2010-11-01 | | Release date: | 2011-03-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Allosteric control of ligand-binding affinity using engineered conformation-specific effector proteins.
Nat.Struct.Mol.Biol., 18, 2011
|
|
3PRM
 | | Structural analysis of a viral OTU domain protease from the Crimean-Congo Hemorrhagic Fever virus in complex with human ubiquitin | | Descriptor: | Polyubiquitin-B (Fragment), RNA-directed RNA polymerase L | | Authors: | Capodagli, G.C, McKercher, M.A, Baker, E.A, Masters, E.M, Brunzelle, J.S, Pegan, S.D. | | Deposit date: | 2010-11-30 | | Release date: | 2011-01-26 | | Last modified: | 2023-02-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of a viral ovarian tumor domain protease from the crimean-congo hemorrhagic Fever virus in complex with covalently bonded ubiquitin.
J.Virol., 85, 2011
|
|
4J89
 | | Different photochemical events of a genetically encoded aryl azide define and modulate GFP fluorescence | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Green fluorescent protein, ... | | Authors: | Reddington, S.C, Jones, D.D, Rizkallah, P.J, Tippmann, E.M. | | Deposit date: | 2013-02-14 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Different Photochemical Events of a Genetically Encoded Phenyl Azide Define and Modulate GFP Fluorescence.
Angew.Chem.Int.Ed.Engl., 52, 2013
|
|
1E1X
 | |
1CJG
 | | NMR STRUCTURE OF LAC REPRESSOR HP62-DNA COMPLEX | | Descriptor: | DNA (5'-D(*GP*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*TP*C)-3'), PROTEIN (LAC REPRESSOR) | | Authors: | Spronk, C.A.E.M, Bonvin, A.M.J.J, Radha, P.K, Melacini, G, Boelens, R, Kaptein, R. | | Deposit date: | 1999-04-14 | | Release date: | 2000-01-01 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | The solution structure of Lac repressor headpiece 62 complexed to a symmetrical lac operator.
Structure Fold.Des., 7, 1999
|
|
1CRC
 | | CYTOCHROME C AT LOW IONIC STRENGTH | | Descriptor: | CYTOCHROME C, HEME C | | Authors: | Sanishvili, R, Volz, K.W, Westbrook, E.M, Margoliash, E. | | Deposit date: | 1995-03-22 | | Release date: | 1996-03-08 | | Last modified: | 2021-03-10 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | The low ionic strength crystal structure of horse cytochrome c at 2.1 A resolution and comparison with its high ionic strength counterpart.
Structure, 3, 1995
|
|
