6J5U
 
 | | Ligand-triggered allosteric ADP release primes a plant NLR complex | | Descriptor: | Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, Protein kinase superfamily protein, ... | | Authors: | Wang, J.Z, Wang, J, Meijuan, H, Wang, H.W, Zhou, J.M, Chai, J.J. | | Deposit date: | 2019-01-12 | | Release date: | 2019-04-03 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Ligand-triggered allosteric ADP release primes a plant NLR complex.
Science, 364, 2019
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7APX
 | | yeast THO-Sub2 complex | | Descriptor: | ATP-dependent RNA helicase SUB2, Protein TEX1, THO complex subunit 2,Tho2, ... | | Authors: | Schuller, S.K, Schuller, J.M, Prabu, R.J, Baumgartner, M, Bonneau, F, basquin, J, Conti, E. | | Deposit date: | 2020-10-20 | | Release date: | 2020-12-02 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into the nucleic acid remodeling mechanisms of the yeast THO-Sub2 complex.
Elife, 9, 2020
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5DGM
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5DIQ
 | | Crystal structure of human FPPS in complex with salicylic acid derivative 3a | | Descriptor: | 2-(naphthalen-1-ylmethoxy)benzoic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ... | | Authors: | Rondeau, J.M, Bourgier, E, Lehmann, S. | | Deposit date: | 2015-09-01 | | Release date: | 2015-09-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
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5DJP
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7AJR
 | | Virtual screening approach leading to the identification of a novel and tractable series of Pseudomonas aeruginosa elastase inhibitors | | Descriptor: | 2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid, Keratinase KP2, SULFATE ION, ... | | Authors: | Leiris, S, Davies, D.T, Sprinsky, N, Castandet, J, Behria, L, Bodnarchuk, M.S, Sutton, J.M, Mullins, T.M.G, Jones, M.W, Forrest, A.K, Pallin, T.D, Karunakar, P, Martha, S.K, Parusharamulu, B, Ramula, R, Kotha, V, Pottabathini, N, Pothukanuri, S, Lemonnier, M, Everett, M. | | Deposit date: | 2020-09-29 | | Release date: | 2021-02-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Virtual Screening Approach to Identifying a Novel and Tractable Series of Pseudomonas aeruginosa Elastase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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7RKH
 | | Yeast CTP Synthase (URA8) tetramer bound to ATP/UTP at neutral pH | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, MAGNESIUM ION, ... | | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | | Deposit date: | 2021-07-22 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
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7RMV
 | | Yeast CTP Synthase (Ura7) H360R Filament bound to Substrates | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, URIDINE 5'-TRIPHOSPHATE | | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | | Deposit date: | 2021-07-28 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (6.7 Å) | | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
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7RMK
 | | Yeast CTP Synthase (Ura7) Bundle bound to substrates at low pH | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, URIDINE 5'-TRIPHOSPHATE | | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | | Deposit date: | 2021-07-27 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
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7RNR
 | | Yeast CTP Synthase (Ura8) Bundle Bound to Substrates at Low pH | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, MAGNESIUM ION, ... | | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | | Deposit date: | 2021-07-29 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
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7RNL
 | | Yeast CTP Synthase (Ura7) H360R Filament bound to Substrates | | Descriptor: | CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | | Deposit date: | 2021-07-29 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
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7RMF
 | | Substrate-bound Ura7 filament at low pH | | Descriptor: | CTP synthase | | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | | Deposit date: | 2021-07-27 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (7.3 Å) | | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
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7RMC
 | | Yeast CTP Synthase (Ura7) filament bound to CTP at low pH | | Descriptor: | CTP synthase 1, CYTIDINE-5'-TRIPHOSPHATE | | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | | Deposit date: | 2021-07-27 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
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7RL5
 | | Yeast CTP Synthase (URA8) filament bound to CTP at low pH | | Descriptor: | CTP synthase, CYTIDINE-5'-TRIPHOSPHATE | | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | | Deposit date: | 2021-07-23 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
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7RMO
 | | Yeast CTP Synthase (Ura7) Bundle bound to Products at low pH | | Descriptor: | CTP synthase, CYTIDINE-5'-TRIPHOSPHATE | | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | | Deposit date: | 2021-07-27 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
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7RL0
 | | Yeast CTP Synthase (URA8) Filament bound to ATP/UTP at low pH | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, MAGNESIUM ION, ... | | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | | Deposit date: | 2021-07-22 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation.
Elife, 10, 2021
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5DJV
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5DJR
 | | Crystal structure of human FPPS in complex with biaryl compound 6 | | Descriptor: | 1H,1'H-4,4'-biindole-2-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ... | | Authors: | Rondeau, J.M, Bourgier, E, Lehmann, S. | | Deposit date: | 2015-09-02 | | Release date: | 2015-09-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
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7B7F
 | | Room temperature X-ray structure of H/D-exchanged PLL lectin in complex with L-fucose | | Descriptor: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | Deposit date: | 2020-12-10 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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7B7E
 | | Room temperature X-ray structure of perdeuterated PLL lectin | | Descriptor: | PLL lectin | | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | Deposit date: | 2020-12-10 | | Release date: | 2021-03-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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7B7C
 | | Room temperature X-ray structure of perdeuterated PLL lectin in complex with L-fucose | | Descriptor: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | Deposit date: | 2020-12-10 | | Release date: | 2021-03-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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6J5V
 | | Ligand-triggered allosteric ADP release primes a plant NLR complex | | Descriptor: | Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, Protein kinase superfamily protein, ... | | Authors: | Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J. | | Deposit date: | 2019-01-12 | | Release date: | 2019-04-03 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (4.25 Å) | | Cite: | Ligand-triggered allosteric ADP release primes a plant NLR complex.
Science, 364, 2019
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7B1P
 | | Crystal Structure of Human BACE-1 in Complex with Compound 38a (NB-854) | | Descriptor: | Beta-secretase 1, ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide | | Authors: | Rondeau, J.M, Wirth, E. | | Deposit date: | 2020-11-25 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.
J.Med.Chem., 64, 2021
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7B1E
 | | BACE1 IN COMPLEX WITH compound 3 (NB-641) | | Descriptor: | Beta-secretase 1, ~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide | | Authors: | Rondeau, J.M, Wirth, E. | | Deposit date: | 2020-11-24 | | Release date: | 2021-04-28 | | Last modified: | 2021-05-05 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.
J.Med.Chem., 64, 2021
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7B1Q
 | | Crystal Structure of Human BACE-1 in Complex with Compound NB-360 (compound 54) | | Descriptor: | Beta-secretase 1, ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide | | Authors: | Rondeau, J.M, Wirth, E. | | Deposit date: | 2020-11-25 | | Release date: | 2021-04-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.
J.Med.Chem., 64, 2021
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