1EGN
 
 | | CELLOBIOHYDROLASE CEL7A (E223S, A224H, L225V, T226A, D262G) MUTANT | | Descriptor: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE CEL7A, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION | | Authors: | Stahlberg, J, Harris, M, Jones, T.A. | | Deposit date: | 2000-02-16 | | Release date: | 2001-05-16 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Engineering of a glycosidase Family 7 cellobiohydrolase to more alkaline pH optimum: the pH behaviour of Trichoderma reesei Cel7A and its E223S/ A224H/L225V/T226A/D262G mutant.
Biochem.J., 356, 2001
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2XHD
 | | Crystal structure of N-((2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H- inden-2-yl)-2-propanesulfonamide in complex with the ligand binding domain of the human GluA2 receptor | | Descriptor: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N-[(2S)-5-(6-FLUORO-3-PYRIDINYL)-2,3-DIHYDRO-1H-INDEN-2-YL]-2-PROPANESULFONAMIDE, ... | | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Andreotti, D, Ballantine, S, Bax, B.D, Harris, A.J, Harker, A.J, Lund, J, Melarange, R, Mingardi, A, Mookherjee, C, Mosley, J, Neve, M, Oliosi, B, Profeta, R, Smith, K.J, Smith, P.W, Spada, S, Thewlis, K.M, Yusaf, S.P. | | Deposit date: | 2010-06-14 | | Release date: | 2010-07-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of N-[(2S)-5-(6-Fluoro-3-Pyridinyl)-2,3-Dihydro-1H-Inden-2-Yl]-2-Propanesulfonamide, a Novel Clinical Ampa Receptor Positive Modulator.
J.Med.Chem., 53, 2010
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1Q2B
 | | CELLOBIOHYDROLASE CEL7A WITH DISULPHIDE BRIDGE ADDED ACROSS EXO-LOOP BY MUTATIONS D241C AND D249C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, EXOCELLOBIOHYDROLASE I | | Authors: | Stahlberg, J, Harris, M, Jones, T.A. | | Deposit date: | 2003-07-24 | | Release date: | 2003-11-25 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Engineering the exo-loop of Trichoderma reesei cellobiohydrolase, Cel7A.
A comparison with Phanerochaete chrysosporium Cel7D.
J.Mol.Biol., 333, 2003
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1Q2E
 | | CELLOBIOHYDROLASE CEL7A WITH LOOP DELETION 245-252 AND BOUND NON-HYDROLYSABLE CELLOTETRAOSE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, EXOCELLOBIOHYDROLASE I, ... | | Authors: | Stahlberg, J, Harris, M, Jones, T.A. | | Deposit date: | 2003-07-24 | | Release date: | 2003-11-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Engineering the exo-loop of Trichoderma reesei cellobiohydrolase, Cel7A.
A comparison with Phanerochaete chrysosporium Cel7D
J.Mol.Biol., 333, 2003
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2XXI
 | | Crystal structure of 1-((4-(3-(trifluoromethyl)-6,7-dihydropyrano(4,3- c(pyrazol-1(4H)-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.6A resolution. | | Descriptor: | 1-({4-[3-(TRIFLUOROMETHYL)-6,7-DIHYDROPYRANO[4,3-C]PYRAZOL-1(4H)-YL]PHENYL}METHYL)-2-PYRROLIDINONE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | Deposit date: | 2010-11-10 | | Release date: | 2011-04-06 | | Last modified: | 2011-09-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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2XXH
 | | Crystal structure of 1-(4-(2-oxo-2-(1-pyrrolidinyl)ethyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.5A resolution. | | Descriptor: | 1-{4-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]PHENYL}-3-( TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | Deposit date: | 2010-11-10 | | Release date: | 2011-04-06 | | Last modified: | 2011-09-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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2XX7
 | | Crystal structure of 1-(4-(1-pyrrolidinylcarbonyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | | Descriptor: | 1-[4-(1-PYRROLIDINYLCARBONYL)PHENYL]-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | Deposit date: | 2010-11-09 | | Release date: | 2011-04-06 | | Last modified: | 2011-09-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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2XX9
 | | Crystal structure of 1-((2-fluoro-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | | Descriptor: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ... | | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | Deposit date: | 2010-11-09 | | Release date: | 2011-04-06 | | Last modified: | 2011-09-28 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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2XX8
 | | Crystal structure of N,N-dimethyl-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)benzamide in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | | Descriptor: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ... | | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | Deposit date: | 2010-11-09 | | Release date: | 2011-04-27 | | Last modified: | 2011-09-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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3ZD0
 | | The Solution Structure of Monomeric Hepatitis C Virus p7 Yields Potent Inhibitors of Virion Release | | Descriptor: | P7 PROTEIN | | Authors: | Foster, T.L, Sthompson, G, Kalverda, A.P, Kankanala, J, Thompson, J, Barker, A.M, Clarke, D, Noerenberg, M, Pearson, A.R, Rowlands, D.J, Homans, S.W, Harris, M, Foster, R, Griffin, S.D.C. | | Deposit date: | 2012-11-23 | | Release date: | 2013-09-04 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structure-Guided Design Affirms Inhibitors of Hepatitis C Virus P7 as a Viable Class of Antivirals Targeting Virion Release
Hepatology, 59, 2014
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3TB8
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2W9T
 | | Staphylococcus aureus S1:DHFR | | Descriptor: | DIHYDROFOLATE REDUCTASE TYPE 1 | | Authors: | Soutter, H.H, Miller, J.R. | | Deposit date: | 2009-01-28 | | Release date: | 2009-03-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Comparison of Chromosomal and Exogenous Dihydrofolate Reductase from Staphylococcus Aureus in Complex with the Potent Inhibitor Trimethoprim.
Proteins, 76, 2009
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2W9H
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7T1F
 | | Crystal structure of GDP-bound T50I mutant of human KRAS4B | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION | | Authors: | Zhang, Y, Zhang, C. | | Deposit date: | 2021-12-01 | | Release date: | 2022-12-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and functional analyses of a germline KRAS T50I mutation provide insights into Raf activation.
JCI Insight, 8, 2023
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2W9S
 | | Staphylococcus aureus S1:DHFR in complex with trimethoprim | | Descriptor: | DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Soutter, H.H, Miller, J.R. | | Deposit date: | 2009-01-28 | | Release date: | 2009-03-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Comparison of Chromosomal and Exogenous Dihydrofolate Reductase from Staphylococcus Aureus in Complex with the Potent Inhibitor Trimethoprim.
Proteins, 76, 2009
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2W9G
 | | Wild-type Staphylococcus aureus DHFR in complex with NADPH and trimethoprim | | Descriptor: | DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM | | Authors: | Soutter, H.H, Miller, J.R. | | Deposit date: | 2009-01-23 | | Release date: | 2009-03-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Comparison of Chromosomal and Exogenous Dihydrofolate Reductase from Staphylococcus Aureus in Complex with the Potent Inhibitor Trimethoprim.
Proteins, 76, 2009
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