3G1O
 
 | | EthR from Mycobacterium tuberculosis in complex with compound BDM14500 | | Descriptor: | TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR, tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate | | Authors: | Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R. | | Deposit date: | 2009-01-30 | | Release date: | 2009-07-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthetic EthR inhibitors boost antituberculous activity of ethionamide.
NAT.MED. (N.Y.), 15, 2009
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3G1L
 | | EthR from Mycobacterium tuberculosis in complex with compound BDM14744 | | Descriptor: | 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR | | Authors: | Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R. | | Deposit date: | 2009-01-30 | | Release date: | 2009-07-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Synthetic EthR inhibitors boost antituberculous activity of ethionamide.
Nat.Med. (N.Y.), 15, 2009
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3G1M
 | | EthR from Mycobacterium tuberculosis in complex with compound BDM31381 | | Descriptor: | 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR | | Authors: | Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R. | | Deposit date: | 2009-01-30 | | Release date: | 2009-07-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Synthetic EthR inhibitors boost antituberculous activity of ethionamide.
Nat.Med. (N.Y.), 15, 2009
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3O8G
 | | EthR from Mycobacterium tuberculosis in complex with compound BDM14801 | | Descriptor: | 1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR | | Authors: | Willand, N, Desroses, M, Toto, P, Diri, B, Lens, Z, Villeret, V, Rucktooa, P, Locht, C, Baulard, A, Deprez, B. | | Deposit date: | 2010-08-03 | | Release date: | 2010-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Exploring drug target flexibility using in situ click chemistry: application to a mycobacterial transcriptional regulator.
Acs Chem.Biol., 5, 2010
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3O8H
 | | EthR from Mycobacterium tuberculosis in complex with compound BDM14950 | | Descriptor: | 4-iodo-N-[(1-{2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl}-1H-1,2,3-triazol-4-yl)methyl]benzenesulfonamide, Transcriptional Regulatory Repressor protein (TETR-Family) EthR | | Authors: | Willand, N, Desroses, M, Toto, P, Diri, B, Lens, Z, Villeret, V, Rucktooa, P, Locht, C, Baulard, A, Deprez, B. | | Deposit date: | 2010-08-03 | | Release date: | 2010-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Exploring drug target flexibility using in situ click chemistry: application to a mycobacterial transcriptional regulator.
Acs Chem.Biol., 5, 2010
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3EYH
 | | Crystal structures of JAK1 and JAK2 inhibitor complexes | | Descriptor: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Tyrosine-protein kinase | | Authors: | Williams, N.K, Bamert, R.S, Patell, O, Wang, C, Walden, P.M, Fantino, E. | | Deposit date: | 2008-10-20 | | Release date: | 2009-02-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains.
J.Mol.Biol., 387, 2009
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3EYG
 | | Crystal structures of JAK1 and JAK2 inhibitor complexes | | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase | | Authors: | Williams, N.K, Bamert, R.S, Patell, O, Wang, C, Walden, P.M, Fantino, E. | | Deposit date: | 2008-10-20 | | Release date: | 2009-02-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains.
J.Mol.Biol., 387, 2009
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3FUP
 | | Crystal structures of JAK1 and JAK2 inhibitor complexes | | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase JAK2 | | Authors: | Williams, N.K, Bamert, R.S, Patel, O, Fantino, E, Rossjohn, J, Lucet, I.S. | | Deposit date: | 2009-01-14 | | Release date: | 2009-02-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains.
J.Mol.Biol., 387, 2009
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2ZV7
 | | Lyn Tyrosine Kinase Domain, apo form | | Descriptor: | Tyrosine-protein kinase Lyn | | Authors: | Williams, N.K, Rossjohn, J. | | Deposit date: | 2008-11-04 | | Release date: | 2008-11-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structures of the Lyn Protein Tyrosine Kinase Domain in Its Apo- and Inhibitor-bound State
J.Biol.Chem., 284, 2009
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2ZV8
 | | Lyn Tyrosine Kinase Domain-AMP-PNP complex | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase Lyn | | Authors: | Williams, N.K, Rossjohn, J. | | Deposit date: | 2008-11-04 | | Release date: | 2008-11-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structures of the Lyn Protein Tyrosine Kinase Domain in Its Apo- and Inhibitor-bound State
J.Biol.Chem., 284, 2009
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2ZV9
 | | Lyn Tyrosine Kinase Domain-PP2 complex | | Descriptor: | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, Tyrosine-protein kinase Lyn | | Authors: | Williams, N.K, Rossjohn, J. | | Deposit date: | 2008-11-04 | | Release date: | 2008-11-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Crystal Structures of the Lyn Protein Tyrosine Kinase Domain in Its Apo- and Inhibitor-bound State
J.Biol.Chem., 284, 2009
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2ZVA
 | | Lyn Tyrosine Kinase Domain-Dasatinib complex | | Descriptor: | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Tyrosine-protein kinase Lyn | | Authors: | Williams, N.K, Rossjohn, J. | | Deposit date: | 2008-11-04 | | Release date: | 2008-11-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structures of the Lyn Protein Tyrosine Kinase Domain in Its Apo- and Inhibitor-bound State
J.Biol.Chem., 284, 2009
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6NX4
 | | Structure of the C-terminal Helical Repeat Domain of Eukaryotic Elongation Factor 2 Kinase (eEF-2K) | | Descriptor: | Eukaryotic elongation factor 2 kinase | | Authors: | Piserchio, A, Will, N, Giles, D.H, Hajredini, F, Dalby, K.N, Ghose, R. | | Deposit date: | 2019-02-08 | | Release date: | 2019-05-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Carboxy-Terminal Tandem Repeat Domain of Eukaryotic Elongation Factor 2 Kinase and Its Role in Substrate Recognition.
J.Mol.Biol., 431, 2019
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5KS5
 | | Structure of the C-terminal Helical Repeat Domain of Elongation Factor 2 Kinase | | Descriptor: | Eukaryotic elongation factor 2 kinase | | Authors: | Piserchio, A, Will, N, Snyder, I, Ferguson, S.B, Giles, D.H, Dalby, K.N, Ghose, R. | | Deposit date: | 2016-07-07 | | Release date: | 2016-09-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the C-Terminal Helical Repeat Domain of Eukaryotic Elongation Factor 2 Kinase.
Biochemistry, 55, 2016
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1UTK
 | | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | | Descriptor: | CALCIUM ION, SULFATE ION, TRYPSIN I | | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | | Deposit date: | 2003-12-09 | | Release date: | 2004-01-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Protein Sci., 13, 2004
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1UTM
 | | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | | Descriptor: | 2-PHENYLETHYLAMINE, CALCIUM ION, TRYPSIN I | | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | | Deposit date: | 2003-12-09 | | Release date: | 2004-01-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Protein Sci., 13, 2004
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1UTQ
 | | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | | Descriptor: | CALCIUM ION, GLYCEROL, TRYPSINOGEN | | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | | Deposit date: | 2003-12-09 | | Release date: | 2004-01-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Protein Sci., 13, 2004
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4DW6
 | | Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis. | | Descriptor: | AMMONIUM ION, GLYCEROL, HTH-type transcriptional regulator EthR, ... | | Authors: | Flipo, M, Willand, N, Lecat-Guillet, N, Hounsou, C, Desroses, M, Leroux, F, Lens, Z, Villeret, V, Wohlkonig, A, Wintjens, R, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, Baulard, A.R, Deprez, B. | | Deposit date: | 2012-02-24 | | Release date: | 2013-03-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis.
J.Med.Chem., 55, 2012
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2PU3
 | | Structural adaptation of endonuclease I from the cold-adapted and halophilic bacterium Vibrio salmonicida | | Descriptor: | CHLORIDE ION, Endonuclease I, MAGNESIUM ION | | Authors: | Altermark, B, Helland, R, Moe, E, Willassen, N.P, Smalas, A.O. | | Deposit date: | 2007-05-08 | | Release date: | 2008-03-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural adaptation of endonuclease I from the cold-adapted and halophilic bacterium Vibrio salmonicida.
Acta Crystallogr.,Sect.D, 64, 2008
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2QEJ
 | | Crystal structure of a Staphylococcus aureus protein (SSL7) in complex with Fc of human IgA1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Ramsland, P.A, Willoughby, N, Trist, H.M, Farrugia, W, Hogarth, P.M, Fraser, J.D, Wines, B.D. | | Deposit date: | 2007-06-26 | | Release date: | 2007-09-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for evasion of IgA immunity by Staphylococcus aureus revealed in the complex of SSL7 with Fc of human IgA1
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2WF6
 | | Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and Aluminium tetrafluoride | | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ... | | Authors: | Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P. | | Deposit date: | 2009-04-03 | | Release date: | 2010-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes.
Proc. Natl. Acad. Sci. U.S.A., 107, 2010
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2WF5
 | | Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and trifluoromagnesate | | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ... | | Authors: | Bowler, M.W, Baxter, N.J, Webster, C.E, Hounslow, A.M, Cliff, M.J, Williams, N.H, Hollfelder, F, Gamblin, S, Blackburn, G.M, Waltho, J.P. | | Deposit date: | 2009-04-03 | | Release date: | 2009-09-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes.
Proc. Natl. Acad. Sci. U.S.A., 107, 2010
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2WHE
 | | Structure of native Beta-Phosphoglucomutase in an open conformation without bound ligands. | | Descriptor: | BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION | | Authors: | Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P. | | Deposit date: | 2009-05-04 | | Release date: | 2009-09-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Atomic Details of Near-Transition State Conformers for Enzyme Phosphoryl Transfer Revealed by Mgf-3 Rather Than by Phosphoranes.
Proc.Natl.Acad.Sci.USA, 107, 2010
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1EKM
 | | CRYSTAL STRUCTURE AT 2.5 A RESOLUTION OF ZINC-SUBSTITUTED COPPER AMINE OXIDASE OF HANSENULA POLYMORPHA EXPRESSED IN ESCHERICHIA COLI | | Descriptor: | COPPER AMINE OXIDASE, ZINC ION | | Authors: | Chen, Z, Schwartz, B, Williams, N.K, Li, R, Klinman, J.P, Mathews, F.S. | | Deposit date: | 2000-03-09 | | Release date: | 2000-08-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure at 2.5 A resolution of zinc-substituted copper amine oxidase of Hansenula polymorpha expressed in Escherichia coli.
Biochemistry, 39, 2000
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3TP0
 | | Structural activation of the transcriptional repressor EthR from M. tuberculosis by single amino-acid change mimicking natural and synthetic ligands | | Descriptor: | 3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile, HTH-type transcriptional regulator EthR | | Authors: | Carette, X, Blondiaux, N, Willery, E, Hoos, S, Lecat-Guillet, N, Lens, Z, Wohlkonig, A, Wintjens, R, Soror, S, Fr nois, F, Diri, B, Villeret, V, England, P, Lippens, G, Deprez, B, Locht, C, Willand, N, Baulard, A. | | Deposit date: | 2011-09-07 | | Release date: | 2011-12-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.
Nucleic Acids Res., 40, 2011
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