8HJ9
 
 | | cryoEM structure of glutamate dehydrogenase from Thermococcus profundus in complex with NADP | | Descriptor: | Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Wakabayashi, T, Oide, M, Kato, T, Nakasako, M. | | Deposit date: | 2022-11-22 | | Release date: | 2023-02-08 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Coenzyme-binding pathway on glutamate dehydrogenase suggested from multiple-binding sites visualized by cryo-electron microscopy.
Febs J., 290, 2023
|
|
8EV2
 | | Dual Modulators | | Descriptor: | (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Estrogen receptor, ... | | Authors: | Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G. | | Deposit date: | 2022-10-19 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
|
|
1BBW
 | | LYSYL-TRNA SYNTHETASE (LYSS) | | Descriptor: | PROTEIN (LYSYL-TRNA SYNTHETASE) | | Authors: | Onesti, S, Desogus, G, Brevet, A, Chen, J, Plateau, P, Blanquet, S, Brick, P. | | Deposit date: | 1998-04-24 | | Release date: | 2000-11-10 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural studies of lysyl-tRNA synthetase: conformational changes induced by substrate binding.
Biochemistry, 39, 2000
|
|
7Z88
 | | DNA-PK in the intermediate state | | Descriptor: | (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA (26-MER), DNA-dependent protein kinase catalytic subunit, ... | | Authors: | Liang, S, Blundell, T.L. | | Deposit date: | 2022-03-16 | | Release date: | 2023-01-18 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Human DNA-dependent protein kinase activation mechanism.
Nat.Struct.Mol.Biol., 30, 2023
|
|
7Z87
 | | DNA-PK in the active state | | Descriptor: | (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA (26-MER), DNA-dependent protein kinase catalytic subunit, ... | | Authors: | Liang, S, Blundell, T.L. | | Deposit date: | 2022-03-16 | | Release date: | 2023-01-18 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Human DNA-dependent protein kinase activation mechanism.
Nat.Struct.Mol.Biol., 30, 2023
|
|
5CMM
 | |
5CMK
 | | Crystal structure of the GluK2EM LBD dimer assembly complex with glutamate and LY466195 | | Descriptor: | (3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid, CHLORIDE ION, GLUTAMIC ACID, ... | | Authors: | Chittori, S, Mayer, M.L. | | Deposit date: | 2015-07-16 | | Release date: | 2016-07-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structural basis of kainate subtype glutamate receptor desensitization.
Nature, 537, 2016
|
|
4G5Y
 | | Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in a ternary complex with ATP and N,N-DIMETHYLTHIOPHENE-3-SULFONAMIDE | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ETHANOL, GLYCEROL, ... | | Authors: | Ciulli, A, Silvestre, H.L, Blundell, T.L, Abell, C. | | Deposit date: | 2012-07-18 | | Release date: | 2013-07-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
2VZR
 | |
6WI1
 | | GluN1b-GluN2B NMDA receptor in active conformation stabilized by inter-GluN1b-GluN2B subunit cross-linking | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ionotropic glutamate receptor , ... | | Authors: | Chou, T, Tajima, N, Furukawa, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-07-15 | | Last modified: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
|
|
6WHR
 | | GluN1b-GluN2B NMDA receptor in non-active 2 conformation at 4 angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | | Authors: | Chou, T, Tajima, N, Furukawa, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (3.99 Å) | | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
|
|
6WHX
 | | GluN1b-GluN2B NMDA receptor in complex with GluN2B antagonist SDZ 220-040, class 2 | | Descriptor: | (2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ionotropic glutamate receptor , ... | | Authors: | Chou, T, Tajima, N, Furukawa, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-07-15 | | Last modified: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (4.09 Å) | | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
|
|
6WHS
 | | GluN1b-GluN2B NMDA receptor in non-active 1 conformation at 3.95 angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | | Authors: | Chou, T, Tajima, N, Furukawa, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
|
|
6WHV
 | | GluN1b-GluN2B NMDA receptor in complex with SDZ 220-040 and L689,560, class 2 | | Descriptor: | (2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, (2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chou, T, Tajima, N, Furukawa, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (4.05 Å) | | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
|
|
6WI0
 | | GluN1b-GluN2B NMDA receptor in complex with GluN1 antagonist L689,560, class 2 | | Descriptor: | (2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chou, T, Tajima, N, Furukawa, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-07-15 | | Last modified: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (4.27 Å) | | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
|
|
6WHT
 | | GluN1b-GluN2B NMDA receptor in active conformation at 4.4 angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | | Authors: | Chou, T, Tajima, N, Furukawa, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (4.39 Å) | | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
|
|
4G5F
 | | Pantothenate synthetase in complex with racemate (2S)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID and (2R)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID | | Descriptor: | (2R)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, (2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, 1,2-ETHANEDIOL, ... | | Authors: | Silvestre, H.L, Blundell, T.L, Abell, C, Ciulli, A. | | Deposit date: | 2012-07-17 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
2CJ9
 | | Crystal structure of Methanosarcina barkeri seryl-tRNA synthetase complexed with an analog of seryladenylate | | Descriptor: | 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, CHLORIDE ION, SERYL-TRNA SYNTHETASE, ... | | Authors: | Bilokapic, S, Maier, T, Ahel, D, Gruic-Sovulj, I, Soll, D, Weygand-Durasevic, I, Ban, N. | | Deposit date: | 2006-03-29 | | Release date: | 2006-06-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Unusual Seryl-tRNA Synthetase Reveals a Distinct Zinc-Dependent Mode of Substrate Recognition
Embo J., 25, 2006
|
|
6WHW
 | | GluN1b-GluN2B NMDA receptor in complex with GluN2B antagonist SDZ 220-040, class 1 | | Descriptor: | (2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ionotropic glutamate receptor , ... | | Authors: | Chou, T, Tajima, N, Furukawa, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-07-15 | | Last modified: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (4.09 Å) | | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
|
|
6WHU
 | | GluN1b-GluN2B NMDA receptor in complex with SDZ 220-040 and L689,560, class 1 | | Descriptor: | (2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, (2S)-2-amino-3-[2',4'-dichloro-4-hydroxy-5-(phosphonomethyl)biphenyl-3-yl]propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chou, T, Tajima, N, Furukawa, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (3.93 Å) | | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
|
|
5F6D
 | | Crystal structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 6 | | Descriptor: | 6~{H}-benzo[c][1,2]benzothiazine 5,5-dioxide, SUMO-conjugating enzyme UBC9 | | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | | Deposit date: | 2015-12-05 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.553 Å) | | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
6WHY
 | | GluN1b-GluN2B NMDA receptor in complex with GluN1 antagonist L689,560, class 1 | | Descriptor: | (2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chou, T, Tajima, N, Furukawa, H. | | Deposit date: | 2020-04-08 | | Release date: | 2020-07-15 | | Last modified: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (4.03 Å) | | Cite: | Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
|
|
8EV1
 | | Dual Modulators | | Descriptor: | (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, Estrogen Receptor, ... | | Authors: | Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G. | | Deposit date: | 2022-10-19 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
|
|
2CJA
 | | Crystal structure of Methanosarcina barkeri seryl-tRNA synthetase complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Bilokapic, S, Maier, T, Ahel, D, Gruic-Sovulj, I, Soll, D, Weygand-Durasevic, I, Ban, N. | | Deposit date: | 2006-03-30 | | Release date: | 2006-06-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the Unusual Seryl-tRNA Synthetase Reveals a Distinct Zinc-Dependent Mode of Substrate Recognition
Embo J., 25, 2006
|
|
4KAK
 | | Crystal structure of human dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3S)-3-[3-methoxy-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006) | | Descriptor: | 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, CALCIUM ION, Dihydrofolate reductase, ... | | Authors: | Lamb, K.M, Anderson, A.C. | | Deposit date: | 2013-04-22 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Elucidating features that drive the design of selective antifolates using crystal structures of human dihydrofolate reductase.
Biochemistry, 52, 2013
|
|
