7DIJ
| Falcilysin in complex with MK-4815 | Descriptor: | 1,2-ETHANEDIOL, 2-(aminomethyl)-3,5-ditert-butyl-phenol, ACETATE ION, ... | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | Deposit date: | 2020-11-19 | Release date: | 2021-12-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development. Cell Chem Biol, 31, 2024
|
|
7DIA
| Falcilysin in complex with mefloquine | Descriptor: | (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | Deposit date: | 2020-11-18 | Release date: | 2021-12-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development. Cell Chem Biol, 31, 2024
|
|
7DI7
| Falcilysin in complex with chloroquine | Descriptor: | ACETATE ION, Falcilysin, N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE, ... | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | Deposit date: | 2020-11-18 | Release date: | 2021-12-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development. Cell Chem Biol, 31, 2024
|
|
4QN0
| Crystal structure of the CPS-6 mutant Q130K | Descriptor: | Endonuclease G, mitochondrial, MAGNESIUM ION | Authors: | Lin, J.L.J, Yuan, H.S. | Deposit date: | 2014-06-17 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Oxidative Stress Impairs Cell Death by Repressing the Nuclease Activity of Mitochondrial Endonuclease G Cell Rep, 16, 2016
|
|
4WQU
| Crystal structure of the Thermus thermophilus 70S ribosome in complex with elongation factor G trapped by the antibiotic dityromycin | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Lin, J, Gagnon, M.G, Steitz, T.A. | Deposit date: | 2014-10-22 | Release date: | 2015-01-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conformational Changes of Elongation Factor G on the Ribosome during tRNA Translocation. Cell, 160, 2015
|
|
4WQF
| Crystal structure of the Thermus thermophilus 70S ribosome in complex with elongation factor G and fusidic acid in the post-translocational state | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Lin, J, Gagnon, M.G, Steitz, T.A. | Deposit date: | 2014-10-21 | Release date: | 2015-01-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conformational Changes of Elongation Factor G on the Ribosome during tRNA Translocation. Cell, 160, 2015
|
|
4WQY
| Crystal structure of the Thermus thermophilus 70S ribosome in complex with elongation factor G in the post-translocational state (without fusitic acid) | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Lin, J, Gagnon, M.G, Steitz, T.A. | Deposit date: | 2014-10-22 | Release date: | 2015-01-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conformational Changes of Elongation Factor G on the Ribosome during tRNA Translocation. Cell, 160, 2015
|
|
4WPO
| Crystal structure of the Thermus thermophilus 70S ribosome in complex with elongation factor G in the pre-translocational state | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Lin, J, Gagnon, M.G, Steitz, T.A. | Deposit date: | 2014-10-20 | Release date: | 2015-01-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conformational Changes of Elongation Factor G on the Ribosome during tRNA Translocation. Cell, 160, 2015
|
|
1W8U
| CBM29-2 mutant D83A complexed with mannohexaose: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules | Descriptor: | NON CATALYTIC PROTEIN 1, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J. | Deposit date: | 2004-09-28 | Release date: | 2005-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules J.Biol.Chem., 280, 2005
|
|
1W8T
| CBM29-2 mutant K74A complexed with cellulohexaose: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules | Descriptor: | NON CATALYTIC PROTEIN 1, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J. | Deposit date: | 2004-09-28 | Release date: | 2005-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules J.Biol.Chem., 280, 2005
|
|
1W8W
| CBM29-2 mutant Y46A: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules | Descriptor: | NON-CATALYTIC PROTEIN 1 | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J. | Deposit date: | 2004-09-30 | Release date: | 2005-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules J.Biol.Chem., 280, 2005
|
|
1W8Z
| CBM29-2 mutant K85A: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules | Descriptor: | NON CATALYTIC PROTEIN 1 | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J. | Deposit date: | 2004-10-01 | Release date: | 2005-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules J.Biol.Chem., 280, 2005
|
|
1W90
| CBM29-2 mutant D114A: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules | Descriptor: | 1,2-ETHANEDIOL, NON-CATALYTIC PROTEIN 1, SODIUM ION | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J. | Deposit date: | 2004-10-01 | Release date: | 2005-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules J.Biol.Chem., 280, 2005
|
|
1W9F
| CBM29-2 mutant R112A: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules | Descriptor: | NON CATALYTIC PROTEIN 1 | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J. | Deposit date: | 2004-10-12 | Release date: | 2005-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules J.Biol.Chem., 280, 2005
|
|
5W4R
| Structure of RORgt bound to a tertiary alcohol | Descriptor: | 1-{4-[(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one, Nuclear receptor ROR-gamma | Authors: | Spurlino, J. | Deposit date: | 2017-06-12 | Release date: | 2017-12-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | 6-Substituted quinolines as ROR gamma t inverse agonists. Bioorg. Med. Chem. Lett., 27, 2017
|
|
5W4V
| Structure of RORgt bound to a tertiary alcohol | Descriptor: | (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol, Nuclear receptor ROR-gamma | Authors: | Spurlino, J, Hars, U. | Deposit date: | 2017-06-13 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | 6-Substituted quinolines as ROR gamma t inverse agonists. Bioorg. Med. Chem. Lett., 27, 2017
|
|
8GPN
| Human menin in complex with H3K79Me2 nucleosome | Descriptor: | DNA (177-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Lin, J, Yu, D, Lam, W.H, Dang, S, Zhai, Y, Li, X.D. | Deposit date: | 2022-08-26 | Release date: | 2023-02-15 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Menin "reads" H3K79me2 mark in a nucleosomal context. Science, 379, 2023
|
|
8HO4
| Falcilysin in complex with MMV000848 | Descriptor: | (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol, 1,2-ETHANEDIOL, Falcilysin, ... | Authors: | Lin, J.Q, Chung, Z, Lescar, J. | Deposit date: | 2022-12-09 | Release date: | 2023-12-20 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development. Cell Chem Biol, 31, 2024
|
|
8HO5
| Falcilysin in complex with MMV665806 | Descriptor: | (2S)-1-(2,3-dimethyl-1H-indol-1-yl)-3-{[(1S,2S)-2-methylcyclohexyl]amino}propan-2-ol, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Lin, J.Q, Chung, Z, Lescar, J. | Deposit date: | 2022-12-09 | Release date: | 2023-12-20 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development. Cell Chem Biol, 31, 2024
|
|
2RDL
| Hamster Chymase 2 | Descriptor: | Chymase 2, METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYLKETONE INHIBITOR, SULFATE ION | Authors: | Spurlino, J, Abad, M, Kervinen, J. | Deposit date: | 2007-09-24 | Release date: | 2007-10-30 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for elastolytic substrate specificity in rodent alpha-chymases. J.Biol.Chem., 283, 2008
|
|
1W5Y
| HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE, POL POLYPROTEIN | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-10 | Release date: | 2004-10-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
|
|
1W5X
| HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-10 | Release date: | 2004-12-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
|
|
1W5V
| HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-10 | Release date: | 2004-12-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
|
|
5E1P
| Ca(2+)-Calmodulin from Paramecium tetraurelia qFit disorder model | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calmodulin | Authors: | Lin, J, van den Bedem, H, Brunger, A.T, Wilson, M.A. | Deposit date: | 2015-09-29 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulin. Acta Crystallogr D Struct Biol, 72, 2016
|
|
5E1N
| Selenomethionine Ca2+-Calmodulin from Paramecium tetraurelia qFit disorder model | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calmodulin | Authors: | Lin, J, van den Bedem, H, Brunger, A.T, Wilson, M.A. | Deposit date: | 2015-09-29 | Release date: | 2015-11-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Atomic resolution experimental phase information reveals extensive disorder and bound 2-methyl-2,4-pentanediol in Ca(2+)-calmodulin. Acta Crystallogr D Struct Biol, 72, 2016
|
|