7A2D
 
 | | Structure-function analyses of dual-BON domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation to the cell division site | | Descriptor: | Uncharacterized protein YraP | | Authors: | Bryant, J.A, Morris, F.C, Knowles, T.J, Maderbocus, R, Heinz, E, Boelter, G, Alodaini, D, Colyer, A, Wotherspoon, P.J, Staunton, K.A, Jeeves, M, Browning, D.F, Sevastsyanovich, Y.R, Wells, T.J, Rossiter, A.E, Bavro, V.N, Sridhar, P, Ward, D.G, Chong, Z.S, Goodall, E.C.A, Icke, C, Teo, A, Chng, S.S, Roper, D.I, Lithgow, T, Cunningham, A.F, Banzhaf, M, Overduin, M, Henderson, I.R. | | Deposit date: | 2020-08-17 | | Release date: | 2020-12-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of dual BON-domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation.
Elife, 9, 2020
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4IQ6
 | | Gsk-3beta with inhibitor 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine | | Descriptor: | 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine, Glycogen synthase kinase-3 beta | | Authors: | Tong, Y, Stewart, K.D, Florjancic, A.S, Harlan, J.E, Merta, P.J, Przytulinska, M, Soni, N, Swinger, K.S, Zhu, H, Johnson, E.F, Shoemaker, A.R, Penning, T.D. | | Deposit date: | 2013-01-10 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195.
ACS Med Chem Lett, 4, 2013
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3KHB
 | | Crystal structure of Escherichia coli AlkB with Co(II) and 2-OG | | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB, COBALT (II) ION | | Authors: | Hollis, T, Holland, P.J. | | Deposit date: | 2009-10-30 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and mutational analysis of Escherichia coli AlkB provides insight into substrate specificity and DNA damage searching.
Plos One, 5, 2010
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1OIT
 | | Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation | | Descriptor: | 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J. | | Deposit date: | 2003-06-24 | | Release date: | 2003-09-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
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4ILB
 | | The pentameric ligand-gated ion channel GLIC A237F in complex with Rubidium | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Sauguet, L, Corringer, P.J, Delarue, M. | | Deposit date: | 2012-12-29 | | Release date: | 2013-02-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels.
Embo J., 32, 2013
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5U9M
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1N4Q
 | | Protein Geranylgeranyltransferase type-I Complexed with a GGPP Analog and a KKKSKTKCVIL Peptide | | Descriptor: | 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE, CHLORIDE ION, Fusion protein consisting of transforming protein p21b and Ras related protein Rap-2b, ... | | Authors: | Taylor, J.S, Reid, T.S, Casey, P.J, Beese, L.S. | | Deposit date: | 2002-11-01 | | Release date: | 2003-11-18 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of mammalian protein geranylgeranyltransferase type-I
EMBO J., 22, 2003
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4P9M
 | | Crystal structure of 8ANC195 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 Fab heavy chain, 8ANC195 light chain | | Authors: | Scharf, L, Bjorkman, P.J. | | Deposit date: | 2014-04-04 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Antibody 8ANC195 Reveals a Site of Broad Vulnerability on the HIV-1 Envelope Spike.
Cell Rep, 7, 2014
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7NIF
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-011 | | Descriptor: | 1-(4-methylphenyl)imidazole, 14-3-3 protein sigma, CALCIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2021-02-12 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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7NJ8
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1007 | | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2021-02-16 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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1N4S
 | | Protein Geranylgeranyltransferase type-I Complexed with GGPP and a Geranylgeranylated KKKSKTKCVIL Peptide Product | | Descriptor: | CHLORIDE ION, Fusion protein consisting of transforming protein p21b and Ras related protein Rap-2b, GERAN-8-YL GERAN, ... | | Authors: | Taylor, J.S, Reid, T.S, Casey, P.J, Beese, L.S. | | Deposit date: | 2002-11-01 | | Release date: | 2003-11-18 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of mammalian protein geranylgeranyltransferase type-I
EMBO J., 22, 2003
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3MLE
 | | Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori cocrystallized with ATP | | Descriptor: | 8-aminooctanoic acid, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Nicholls, R, Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Murshudov, G, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-04-16 | | Release date: | 2010-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
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6EH4
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7NQP
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound LvD1009 | | Descriptor: | 14-3-3 protein sigma, 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde, MAGNESIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2021-03-02 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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7NJ6
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1005 | | Descriptor: | 14-3-3 protein sigma, 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde, CALCIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2021-02-16 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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6EDD
 | | Crystal structure of a GNAT Superfamily PA3944 acetyltransferase in complex with CoA (P1 space group) | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acetyltransferase PA3944, ... | | Authors: | Czub, M.P, Porebski, P.J, Majorek, K.A, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-08-09 | | Release date: | 2018-08-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A Gcn5-Related N-Acetyltransferase (GNAT) Capable of Acetylating Polymyxin B and Colistin Antibiotics in Vitro.
Biochemistry, 57, 2018
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5UG6
 | | Perforin C2 Domain - T431D | | Descriptor: | IODIDE ION, Perforin-1 | | Authors: | Law, R.H.P, Conroy, P.J, Voskoboinik, I, Whisstock, J.C. | | Deposit date: | 2017-01-07 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Perforin proteostasis is regulated through its C2 domain: supra-physiological cell death mediated by T431D-perforin.
Cell Death Differ., 25, 2018
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5TZO
 | | Computationally Designed Fentanyl Binder - Fen49*-Complex | | Descriptor: | CHLORIDE ION, Endo-1,4-beta-xylanase A, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide, ... | | Authors: | Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D. | | Deposit date: | 2016-11-22 | | Release date: | 2017-10-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
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3N4Q
 | | Human cytomegalovirus terminase nuclease domain, Mn soaked | | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, TERMINASE SUBUNIT UL89 PROTEIN | | Authors: | Nadal, M, Mas, P.J, Blanco, A.G, Arnan, C, Sola, M, Hart, D.J, Coll, M. | | Deposit date: | 2010-05-22 | | Release date: | 2010-10-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure and inhibition of herpesvirus DNA packaging terminase nuclease domain.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3KHC
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4GNR
 | | 1.0 Angstrom resolution crystal structure of the branched-chain amino acid transporter substrate binding protein LivJ from Streptococcus pneumoniae str. Canada MDR_19A in complex with Isoleucine | | Descriptor: | ABC transporter substrate-binding protein-branched chain amino acid transport, CHLORIDE ION, ISOLEUCINE, ... | | Authors: | Halavaty, A.S, Kudritska, M, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-08-17 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | 1.0 Angstrom resolution crystal structure of the branched-chain amino acid transporter substrate binding protein LivJ from Streptococcus pneumoniae str. Canada MDR_19A in complex with Isoleucine
To be Published
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4HFB
 | | The GLIC pentameric Ligand-Gated Ion Channel F14'A ethanol-sensitive mutant (Apo) | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M. | | Deposit date: | 2012-10-05 | | Release date: | 2013-04-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel.
Nat Commun, 4, 2013
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4GRS
 | | Crystal structure of a chimeric DAH7PS | | Descriptor: | Phospho-2-dehydro-3-deoxyheptonate aldolase, 2-dehydro-3-deoxyphosphoheptonate aldolase, TYROSINE | | Authors: | Cross, P.J, Allison, T.M, Dobson, R.C.J, Jameson, G.B, Parker, E.J. | | Deposit date: | 2012-08-26 | | Release date: | 2013-02-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Engineering allosteric control to an unregulated enzyme by transfer of a regulatory domain
Proc.Natl.Acad.Sci.USA, 110, 2013
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5UCC
 | | Crystal structure of the ENTH domain of ENT2 from Candida albicans | | Descriptor: | CHLORIDE ION, CITRIC ACID, Potential epsin-like clathrin-binding protein | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-12-22 | | Release date: | 2017-01-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal structure of the ENTH domain of ENT2 from Candida albicans
To Be Published
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5UBA
 | | Human RNA Pseudouridylate Synthase Domain Containing 4 | | Descriptor: | CALCIUM ION, CHLORIDE ION, RNA pseudouridylate synthase domain-containing protein 4, ... | | Authors: | DONG, A, ZENG, H, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-12-20 | | Release date: | 2017-02-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | The Crystal Structure of Human Pseudouridylate Synthase Domain Containing 4. To be published
to be published
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