4CFM
 
 | | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | | Descriptor: | 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | | Deposit date: | 2013-11-18 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
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7KPD
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3L6G
 | | Crystal structure of lactococcal OpuAC in its open conformation | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Betaine ABC transporter permease and substrate binding protein | | Authors: | Berntsson, R.P.A, Wolters, J.C, Gul, N, Karasawa, A, Thunnissen, A.M.W.H, Slotboom, D.J, Poolman, B. | | Deposit date: | 2009-12-23 | | Release date: | 2010-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ligand binding and crystal structures of the substrate-binding domain of the ABC transporter OpuA.
Plos One, 5, 2010
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4CC6
 | | Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase | | Descriptor: | 2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol, DNA LIGASE, SULFATE ION | | Authors: | Howard, S, Amin, N, Benowitz, A.B, Chiarparin, E, Cui, H, Deng, X, Heightman, T.D, Holmes, D.J, Hopkins, A, Huang, J, Jin, Q, Kreatsoulas, C, Martin, A.C.L, Massey, F, McCloskey, L, Mortenson, P.N, Pathuri, P, Tisi, D, Williams, P.A. | | Deposit date: | 2013-10-18 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.
Acs Med.Chem.Lett., 4, 2013
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3I2M
 | | The Crystal Structure of PF-8, the DNA Polymerase Accessory Subunit from Kaposi s Sarcoma-Associated Herpesvirus | | Descriptor: | ORF59 | | Authors: | Baltz, J.L, Filman, D.J, Ciustea, M, Silverman, J.E.Y, Lautenschlager, C.L, Coen, D.M, Ricciardi, R.P, Hogle, J.M. | | Deposit date: | 2009-06-29 | | Release date: | 2010-05-12 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The crystal structure of PF-8, the DNA polymerase accessory subunit from Kaposi's sarcoma-associated herpesvirus.
J.Virol., 83, 2009
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3HO1
 | | Crystal structure of T. thermophilus Argonaute N546 mutant protein complexed with DNA guide strand and 12-nt RNA target strand | | Descriptor: | 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*T*AP*GP*T)-3', 5'-R(P*CP*CP*UP*AP*CP*UP*AP*CP*CP*UP*CP*G)-3', MAGNESIUM ION, ... | | Authors: | Wang, Y, Li, H, Sheng, G, Patel, D.J. | | Deposit date: | 2009-06-01 | | Release date: | 2009-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Nucleation, propagation and cleavage of target RNAs in Ago silencing complexes.
Nature, 461, 2009
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4CFU
 | | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | | Descriptor: | 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | | Deposit date: | 2013-11-19 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
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3LK0
 | | X-ray structure of bovine SC0067,Ca(2+)-S100B | | Descriptor: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, CALCIUM ION, Protein S100-B | | Authors: | Charpentier, T.H, Weber, D.J, Wilder, P.W. | | Deposit date: | 2010-01-26 | | Release date: | 2010-12-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction.
Int J High Throughput Screen, 2010, 2010
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4BZ2
 | | Structure of dengue virus EDIII in complex with Fab 2D73 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ENVELOPE PROTEIN, ... | | Authors: | Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B. | | Deposit date: | 2013-07-23 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure of Dengue Virus Ediii in Complex with Fab 2D73
To be Published
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7L9P
 | | Structure of human SHLD2-SHLD3-REV7-TRIP13(E253Q) complex | | Descriptor: | Mitotic spindle assembly checkpoint protein MAD2B, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Pachytene checkpoint protein 2 homolog, ... | | Authors: | Xie, W, Patel, D.J. | | Deposit date: | 2021-01-04 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular mechanisms of assembly and TRIP13-mediated remodeling of the human Shieldin complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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3LSR
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3LSP
 | | Crystal Structure of DesT bound to desCB promoter and oleoyl-CoA | | Descriptor: | DNA (5'-D(*TP*CP*AP*AP*TP*CP*GP*AP*GP*TP*CP*AP*AP*CP*AP*AP*GP*CP*GP*TP*TP*CP*AP*CP*TP*GP*AP*TP*GP*TP*A)-3'), DNA (5'-D(*TP*TP*AP*CP*AP*TP*CP*AP*GP*TP*GP*AP*AP*CP*GP*CP*TP*TP*GP*TP*TP*GP*AP*CP*TP*CP*GP*AP*TP*TP*G)-3'), DesT, ... | | Authors: | Miller, D.J, White, S.W. | | Deposit date: | 2010-02-12 | | Release date: | 2010-08-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Structural basis for the transcriptional regulation of membrane lipid homeostasis.
Nat.Struct.Mol.Biol., 17, 2010
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4B7I
 | | Crystal Structure of Human IgG Fc Bearing Hybrid-type Glycans | | Descriptor: | CHLORIDE ION, IG GAMMA-1 CHAIN C REGION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Bowden, T.A, Baruah, K, Coles, C.H, Harvey, D.J, Song, B.D, Stuart, D.I, Aricescu, A.R, Scanlan, C.N, Jones, E.Y, Crispin, M. | | Deposit date: | 2012-08-20 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Chemical and Structural Analysis of an Antibody Folding Intermediate Trapped During Glycan Biosynthesis.
J.Am.Chem.Soc., 134, 2012
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7K23
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7JW2
 | | Crystal structure of Aedes aegypti Nibbler EXO domain | | Descriptor: | Exonuclease mut-7 homolog | | Authors: | Xie, W, Sowemimo, I, Hayashi, R, Wang, J, Brennecke, J, Ameres, S.L, Patel, D.J. | | Deposit date: | 2020-08-24 | | Release date: | 2021-01-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-function analysis of microRNA 3'-end trimming by Nibbler.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7JW6
 | | Crystal structure of Drosophila Nibbler EXO domain | | Descriptor: | Exonuclease mut-7 homolog | | Authors: | Xie, W, Sowemimo, I, Hayashi, R, Wang, J, Brennecke, J, Ameres, S.L, Patel, D.J. | | Deposit date: | 2020-08-24 | | Release date: | 2021-01-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-function analysis of microRNA 3'-end trimming by Nibbler.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7KBH
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4CFX
 | | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | | Descriptor: | 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | | Deposit date: | 2013-11-19 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
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1GZH
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3K94
 | | Crystal Structure of Thiamin pyrophosphokinase from Geobacillus thermodenitrificans, Northeast Structural Genomics Consortium Target GtR2 | | Descriptor: | Thiamin pyrophosphokinase | | Authors: | Kuzin, A, Su, M, Seetharaman, J, Janjua, J, Xiao, R, Patel, D.J, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-10-15 | | Release date: | 2010-02-09 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Northeast Structural Genomics Consortium Target GtR2
To be Published
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3I2W
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3JBD
 | | Complex of poliovirus with VHH PVSP6A | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Strauss, M, Schotte, L, Thys, B, Filman, D.J, Hogle, J.M. | | Deposit date: | 2015-08-26 | | Release date: | 2016-01-27 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Five of Five VHHs Neutralizing Poliovirus Bind the Receptor-Binding Site.
J.Virol., 90, 2016
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4B93
 | | Complex of Vamp7 cytoplasmic domain with 2nd ankyrin repeat domain of Varp | | Descriptor: | ANKYRIN REPEAT DOMAIN-CONTAINING PROTEIN 27, VESICLE-ASSOCIATED MEMBRANE PROTEIN 7 | | Authors: | Schaefer, I.B, Owen, D.J, Luzio, J.P, Evans, P.R. | | Deposit date: | 2012-08-31 | | Release date: | 2012-10-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Binding of Varp to Vamp7 Traps Vamp7 in a Closed, Fusogenically Inactive Conformation.
Nat.Struct.Mol.Biol., 19, 2012
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3JBC
 | | Complex of Poliovirus with VHH PVSP29F | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Strauss, M, Schotte, L, Thys, B, Filman, D.J, Hogle, J.M. | | Deposit date: | 2015-08-26 | | Release date: | 2016-01-27 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | Five of Five VHHs Neutralizing Poliovirus Bind the Receptor-Binding Site.
J.Virol., 90, 2016
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3JBG
 | | Complex of poliovirus with VHH PVSS21E | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Strauss, M, Schotte, L, Thys, B, Filman, D.J, Hogle, J.M. | | Deposit date: | 2015-08-26 | | Release date: | 2016-01-27 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Five of Five VHHs Neutralizing Poliovirus Bind the Receptor-Binding Site.
J.Virol., 90, 2016
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