5MHQ
| CCT068127 in complex with CDK2 | Descriptor: | (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol, Cyclin-dependent kinase 2 | Authors: | Whittaker, S.R, Barlow, C, Martin, M.P, Mancusi, C, Wagner, S, Barrie, E, te Poele, R, Sharp, S, Brown, N, Wilson, S, Clarke, P, Walton, M.I, MacDonald, E, Blagg, J, Noble, M.E.M, Garrett, M.D, Workman, P. | Deposit date: | 2016-11-25 | Release date: | 2017-12-20 | Last modified: | 2018-03-14 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Molecular profiling and combinatorial activity of CCT068127: a potent CDK2 and CDK9 inhibitor. Mol Oncol, 12, 2018
|
|
5MK9
| Maltodextrin binding protein MalE1 from L. casei BL23 bound to beta-cyclodextrin | Descriptor: | CHLORIDE ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), MalE1 | Authors: | Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E. | Deposit date: | 2016-12-02 | Release date: | 2017-07-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (0.919 Å) | Cite: | Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr. Mol. Microbiol., 105, 2017
|
|
5MKR
| HSP72-NBD bound to compound TCI 8 - Tyr15 in up-conformation | Descriptor: | 3-[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate, CITRATE ANION, Heat shock 70 kDa protein 1A | Authors: | Pettinger, J, Westwood, I.M, Cronin, N, Le Bihan, Y.-V, Van Montfort, R.L.M. | Deposit date: | 2016-12-05 | Release date: | 2017-03-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | An Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine-56. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
6IYN
| Solution structure of camelid nanobody Nb26 against aflatoxin B1 | Descriptor: | Nb26 | Authors: | Nie, Y, He, T, Zhu, J, Li, S.L, Hu, R, Yang, Y.H. | Deposit date: | 2018-12-17 | Release date: | 2019-01-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Chemical shift assignments of a camelid nanobody against aflatoxin B1. Biomol NMR Assign, 13, 2019
|
|
2WR4
| structure of influenza H2 duck Ontario hemagglutinin with human receptor | Descriptor: | HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2009-08-29 | Release date: | 2009-09-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
7DCO
| Cryo-EM structure of the activated spliceosome (Bact complex) at an atomic resolution of 2.5 angstrom | Descriptor: | BJ4_G0014900.mRNA.1.CDS.1, BJ4_G0027490.mRNA.1.CDS.1, BJ4_G0037700.mRNA.1.CDS.1, ... | Authors: | Bai, R, Wan, R, Yan, C, Qi, J, Zhang, P, Lei, J, Shi, Y. | Deposit date: | 2020-10-26 | Release date: | 2021-03-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Mechanism of spliceosome remodeling by the ATPase/helicase Prp2 and its coactivator Spp2. Science, 371, 2021
|
|
2OYS
| Crystal Structure of SP1951 protein from Streptococcus pneumoniae in complex with FMN, Northeast Structural Genomics Target SpR27 | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Hypothetical protein SP1951 | Authors: | Forouhar, F, Lee, I, Vorobiev, S.M, Janjua, H, Satterwhite, R, Liu, J, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-02-22 | Release date: | 2007-03-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Functional insights from structural genomics. J.Struct.Funct.Genom., 8, 2007
|
|
6JT9
| Crystal Structure of D464A mutant of FGAM Synthetase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Sharma, N, Ahalawat, N, Sandhu, P, Mondal, J, Anand, R. | Deposit date: | 2019-04-10 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Role of allosteric switches and adaptor domains in long-distance cross-talk and transient tunnel formation. Sci Adv, 6, 2020
|
|
1GJ2
| CO(III)-BLEOMYCIN-OOH BOUND TO AN OLIGONUCLEOTIDE CONTAINING A PHOSPHOGLYCOLATE LESION | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, 5'-D(*CP*CP*AP*AP*AP*G)-3', 5'-D(*CP*CP*CP*AP*GP*TP*AP*CP*TP*TP*TP*GP*G)-3', ... | Authors: | Hoehn, S.T, Junker, H.-D, Bunt, R.C, Turner, C.J, Stubbe, J. | Deposit date: | 2000-11-01 | Release date: | 2001-06-06 | Last modified: | 2024-07-10 | Method: | SOLUTION NMR | Cite: | Solution structure of Co(III)-bleomycin-OOH bound to a phosphoglycolate lesion containing oligonucleotide: implications for bleomycin-induced double-strand DNA cleavage. Biochemistry, 40, 2001
|
|
2X1G
| Crystal structure of Importin13 - Mago-Y14 complex | Descriptor: | CADMUS, PROTEIN MAGO NASHI, RNA-BINDING PROTEIN 8A | Authors: | Bono, F, Cook, A.G, Gruenwald, M, Ebert, J, Conti, E. | Deposit date: | 2009-12-23 | Release date: | 2010-02-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Nuclear Import Mechanism of the Ejc Component Mago- Y14 Revealed by Structural Studies of Importin 13. Mol.Cell, 37, 2010
|
|
5MN4
| S. aureus FtsZ 12-316 F138A GDP Open form (1FOf) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | Authors: | Wagstaff, J.M, Tsim, M, Kureisaite-Ciziene, D, Lowe, J. | Deposit date: | 2016-12-12 | Release date: | 2016-12-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Polymerization-Associated Structural Switch in FtsZ That Enables Treadmilling of Model Filaments. MBio, 8, 2017
|
|
5MNA
| Cationic trypsin in complex with aniline (deuterated sample at 295 K) | Descriptor: | ANILINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.441 Å) | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
2WFN
| Filamin A actin binding domain | Descriptor: | FILAMIN-A, SULFATE ION | Authors: | Ruskamo, S, Ylanne, J. | Deposit date: | 2009-04-09 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of the Human Filamin a Actin-Binding Domain Acta Crystallogr.,Sect.D, 65, 2009
|
|
5MNG
| Cationic trypsin in complex with benzamidine (deuterated sample at 100 K) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.86 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
|
|
2W99
| Crystal Structure of CDK4 in complex with a D-type cyclin | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1 | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | Deposit date: | 2009-01-22 | Release date: | 2009-03-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
5MNP
| |
2VUS
| Crystal structure of unliganded NmrA-AreA zinc finger complex | Descriptor: | CHLORIDE ION, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, NITROGEN REGULATORY PROTEIN AREA, ... | Authors: | Kotaka, M, Johnson, C, Lamb, H.K, Hawkins, A.R, Ren, J, Stammers, D.K. | Deposit date: | 2008-05-30 | Release date: | 2008-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Analysis of the Recognition of the Negative Regulator Nmra and DNA by the Zinc Finger from the Gata-Type Transcription Factor Area. J.Mol.Biol., 381, 2008
|
|
5MNZ
| Neutron structure of cationic trypsin in its apo form | Descriptor: | CALCIUM ION, Cationic trypsin | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | NEUTRON DIFFRACTION (1.45 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
|
|
6JVX
| Crystal structure of RBM38 in complex with RNA | Descriptor: | RNA (5'-R(*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*G)-3'), RNA-binding protein 38, SULFATE ION | Authors: | Qian, K, Li, M, Wang, J, Zhang, M, Wang, M. | Deposit date: | 2019-04-17 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structural basis for mRNA recognition by human RBM38. Biochem.J., 477, 2020
|
|
2VXY
| The structure of FTsZ from Bacillus subtilis at 1.7A resolution | Descriptor: | CELL DIVISION PROTEIN FTSZ, CITRIC ACID, POTASSIUM ION | Authors: | Barynin, V.V, Baker, P.J, Rice, D.W, Sedelnikova, S.E, Haydon, D.J, Stokes, N.R, Ure, R, Galbraith, G, Bennett, J.M, Brown, D.R, Heal, J.R, Sheridan, J.M, Aiwale, S.T, Chauhan, P.K, Srivastava, A, Taneja, A, Collins, I, Errington, J, Czaplewski, L.G. | Deposit date: | 2008-07-15 | Release date: | 2008-09-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | An Inhibitor of Ftsz with Potent and Selective Anti-Staphylococcal Activity. Science, 321, 2008
|
|
4EAM
| 1.70A resolution structure of apo beta-glycosidase (W33G) from sulfolobus solfataricus | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, ... | Authors: | Lovell, S, Battaile, K.P, Deckert, K, Brunner, L.C, Budiardjo, S.J, Karanicolas, J. | Deposit date: | 2012-03-22 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Designing allosteric control into enzymes by chemical rescue of structure. J.Am.Chem.Soc., 134, 2012
|
|
2W90
| Geobacillus stearothermophilus 6-phosphogluconate dehydrogenase with bound 6- phosphogluconate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, ... | Authors: | Cameron, S, Martini, V.P, Iulek, J, Hunter, W.N. | Deposit date: | 2009-01-20 | Release date: | 2009-04-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Geobacillus Stearothermophilus 6-Phosphogluconate Dehydrogenase, Complexed with 6-Phosphogluconate. Acta Crystallogr.,Sect.F, 65, 2009
|
|
6K1D
| Crystal structure of EXD2 exonuclease domain soaked in Mn and GMP | Descriptor: | Exonuclease 3'-5' domain-containing protein 2, MANGANESE (II) ION | Authors: | Park, J, Lee, C. | Deposit date: | 2019-05-10 | Release date: | 2019-05-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structure of human EXD2 reveals a chimeric 3' to 5' exonuclease domain that discriminates substrates via metal coordination. Nucleic Acids Res., 47, 2019
|
|
5MON
| Joint X-ray/neutron structure of cationic trypsin in complex with 2-aminopyridine | Descriptor: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | Deposit date: | 2016-12-14 | Release date: | 2017-05-24 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (0.939 Å), X-RAY DIFFRACTION | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
5MOS
| Joint X-ray/neutron structure of cationic trypsin in complex with N-amidinopiperidine | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | Deposit date: | 2016-12-14 | Release date: | 2018-02-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (0.96 Å), X-RAY DIFFRACTION | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
|
|