9BV0
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8TT7
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2SOB
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![BU of 2sob by Molmil](/molmil-images/mine/2sob) | SN-OB, OB-FOLD SUB-DOMAIN OF STAPHYLOCOCCAL NUCLEASE, NMR, 10 STRUCTURES | Descriptor: | STAPHYLOCOCCAL NUCLEASE | Authors: | Alexandrescu, A.T, Gittis, A.G, Abeygunawardana, C, Shortle, D. | Deposit date: | 1995-09-15 | Release date: | 1995-12-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of a stable "OB-fold" sub-domain isolated from staphylococcal nuclease. J.Mol.Biol., 250, 1995
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1E52
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![BU of 1e52 by Molmil](/molmil-images/mine/1e52) | Solution structure of Escherichia coli UvrB C-terminal domain | Descriptor: | EXCINUCLEASE ABC SUBUNIT | Authors: | Alexandrovich, A.A, Kelly, G.G, Frenkiel, T.A, Moolenaar, G.F, Goosen, N.N, Sanderson, M.R, Lane, A.N. | Deposit date: | 2000-07-14 | Release date: | 2001-07-12 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Solution Structure, Hydrodynamics and Thermodynamics of the Uvrb C-Terminal Domain. J.Biomol.Struct.Dyn., 19, 2001
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2WEG
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![BU of 2weg by Molmil](/molmil-images/mine/2weg) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-03-31 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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2WEJ
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![BU of 2wej by Molmil](/molmil-images/mine/2wej) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-03-31 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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2WEH
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![BU of 2weh by Molmil](/molmil-images/mine/2weh) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | 2-CHLOROBENZENESULFONAMIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-03-31 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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2WEO
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![BU of 2weo by Molmil](/molmil-images/mine/2weo) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | 3-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-04-01 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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7OPM
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![BU of 7opm by Molmil](/molmil-images/mine/7opm) | Phosphorylated ERK2 in complex with ORF45 | Descriptor: | 1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urea, GLYCEROL, Mitogen-activated protein kinase 1, ... | Authors: | Sok, P, Remenyi, A, Alexa, A, Poti, A. | Deposit date: | 2021-06-01 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A non-catalytic herpesviral protein reconfigures ERK-RSK signaling by targeting kinase docking systems in the host. Nat Commun, 13, 2022
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7OPO
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![BU of 7opo by Molmil](/molmil-images/mine/7opo) | RSK2 N-terminal kinase domain in complex with ORF45 | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein ORF45, Ribosomal protein S6 kinase alpha-3 | Authors: | Sok, P, Remenyi, A, Alexa, A, Poti, A. | Deposit date: | 2021-06-01 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A non-catalytic herpesviral protein reconfigures ERK-RSK signaling by targeting kinase docking systems in the host. Nat Commun, 13, 2022
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6WA1
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8SXM
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7SMG
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![BU of 7smg by Molmil](/molmil-images/mine/7smg) | Crystal structure of a (p)ppApp hydrolase from Bacteroides caccae | Descriptor: | (p)ppApp hydrolase, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Ahmad, S, Alexei, A.G, Tsang, K.K, Trilesky, S, Kim, Y, Whitney, J.C. | Deposit date: | 2021-10-25 | Release date: | 2022-11-09 | Last modified: | 2023-05-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of a broadly conserved family of enzymes that hydrolyze (p)ppApp. Proc.Natl.Acad.Sci.USA, 120, 2023
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5IIV
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![BU of 5iiv by Molmil](/molmil-images/mine/5iiv) | GCN4p pH 1.5 | Descriptor: | General control protein GCN4 | Authors: | Brady, M.R, Kaplan, A.R, Alexandrescu, A.T. | Deposit date: | 2016-03-01 | Release date: | 2017-03-15 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Nuclear Magnetic Resonance Structures of GCN4p Are Largely Conserved When Ion Pairs Are Disrupted at Acidic pH but Show a Relaxation of the Coiled Coil Superhelix. Biochemistry, 56, 2017
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5IEW
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6BEJ
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![BU of 6bej by Molmil](/molmil-images/mine/6bej) | Crystal structure of manganese superoxide dismutase from Xanthomonas citri | Descriptor: | MANGANESE (II) ION, Superoxide dismutase | Authors: | Goto, L.S, Alexandrino, A.V, Pereira, C.M, Mendoca, D.C, Leonardo, D.A, Pereira, H.M, Garratt, R.C, Novo-Mansur, M.T.M. | Deposit date: | 2017-10-25 | Release date: | 2018-10-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.894 Å) | Cite: | Structural characterization of a pathogenicity-related superoxide dismutase codified by a probably essential gene in Xanthomonas citri subsp. citri. PLoS ONE, 14, 2019
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5IIR
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8VG3
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6E3C
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5FA7
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![BU of 5fa7 by Molmil](/molmil-images/mine/5fa7) | CTX-M-15 in complex with FPI-1523 | Descriptor: | Beta-lactamase, [[(3~{R},6~{S})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | Deposit date: | 2015-12-11 | Release date: | 2016-01-20 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5FAT
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![BU of 5fat by Molmil](/molmil-images/mine/5fat) | OXA-48 in complex with FPI-1602 | Descriptor: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | Deposit date: | 2015-12-12 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5FAQ
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![BU of 5faq by Molmil](/molmil-images/mine/5faq) | OXA-48 in complex with FPI-1465 | Descriptor: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | Deposit date: | 2015-12-11 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5FAO
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![BU of 5fao by Molmil](/molmil-images/mine/5fao) | CTX-M-15 in complex with FPI-1465 | Descriptor: | Beta-lactamase, [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | Deposit date: | 2015-12-11 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5FAS
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![BU of 5fas by Molmil](/molmil-images/mine/5fas) | OXA-48 in complex with FPI-1523 | Descriptor: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | Deposit date: | 2015-12-11 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5FAP
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![BU of 5fap by Molmil](/molmil-images/mine/5fap) | CTX-M-15 in complex with FPI-1602 | Descriptor: | Beta-lactamase, [[(3~{R},6~{S})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | Deposit date: | 2015-12-11 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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