6UWV
 
 | | BACE-1 in complex with compound #34 | | Descriptor: | (4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | | Authors: | Hendle, J, Stout, S.L. | | Deposit date: | 2019-11-05 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
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6UVY
 | | BACE-1 in complex with compound #18 | | Descriptor: | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ... | | Authors: | Hendle, J, Timm, D.E. | | Deposit date: | 2019-11-04 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
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6UVV
 | | BACE-1 in complex with compound #17 | | Descriptor: | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ... | | Authors: | Hendle, J, Timm, D.E. | | Deposit date: | 2019-11-04 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
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5CA1
 | | Crystal structure of T2R-TTL-Nocodazole complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | | Deposit date: | 2015-06-29 | | Release date: | 2015-11-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
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5C8Y
 | | Crystal structure of T2R-TTL-Plinabulin complex | | Descriptor: | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | | Deposit date: | 2015-06-26 | | Release date: | 2015-11-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.594 Å) | | Cite: | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
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5CA0
 | | Crystal structure of T2R-TTL-Lexibulin complex | | Descriptor: | 1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | | Deposit date: | 2015-06-29 | | Release date: | 2015-11-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
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5CB4
 | | Crystal structure of T2R-TTL-Tivantinib complex | | Descriptor: | (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | | Deposit date: | 2015-06-30 | | Release date: | 2015-11-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.193 Å) | | Cite: | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery.
Febs J., 283, 2016
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4RX4
 | | Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC134 in complex with HIV-1 clade A Q842.d12 gp120 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC134 Heavy chain, ... | | Authors: | Zhou, T, Acharya, P, Moquin, S, Kwong, P.D. | | Deposit date: | 2014-12-08 | | Release date: | 2015-07-01 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell(Cambridge,Mass.), 161, 2015
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4RWY
 | | Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC131 in complex with HIV-1 clade B YU2 gp120 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Acharya, P, Luongo, T.S, Kwong, P.D. | | Deposit date: | 2014-12-08 | | Release date: | 2015-07-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.128 Å) | | Cite: | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell(Cambridge,Mass.), 161, 2015
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4X7I
 | | Crystal Structure of BACE with amino thiazine inhibitor LY2886721 | | Descriptor: | Beta-secretase 1, GLYCEROL, N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | | Authors: | Timm, D.E. | | Deposit date: | 2014-12-09 | | Release date: | 2014-12-24 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans.
J.Neurosci., 35, 2015
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8EC6
 | | Cryo-EM structure of the Glutaminase C core filament (fGAC) | | Descriptor: | Isoform 2 of Glutaminase kidney isoform, mitochondrial, PHOSPHATE ION | | Authors: | Ambrosio, A.L, Dias, S.M, Quesnay, J.E, Portugal, R.V, Cassago, A, van Heel, M.G, Islam, Z, Rodrigues, C.T. | | Deposit date: | 2022-09-01 | | Release date: | 2023-09-20 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Molecular mechanism of glutaminase activation through filamentation and the role of filaments in mitophagy protection.
Nat.Struct.Mol.Biol., 30, 2023
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8TV0
 | | XptA2 wild type | | Descriptor: | XptA2 | | Authors: | Martin, C.L, Aller, S.G. | | Deposit date: | 2023-08-17 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of the Insecticidal Toxin Complex Subunit XptA2 Highlight Roles for Flexible Domains.
Int J Mol Sci, 24, 2023
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8TQE
 | | XptA2 wild type | | Descriptor: | XptA2 | | Authors: | Martin, C.L, Binshtein, E.M, Aller, S.G. | | Deposit date: | 2023-08-07 | | Release date: | 2023-09-27 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structures of the Insecticidal Toxin Complex Subunit XptA2 Highlight Roles for Flexible Domains.
Int J Mol Sci, 24, 2023
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4ZPE
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4ZPF
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4ZPG
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8F7T
 | | Glycan-Base ConC Env Trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 Env gp120, ... | | Authors: | Olia, A.S, Kwong, P.D. | | Deposit date: | 2022-11-20 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Soluble prefusion-closed HIV-envelope trimers with glycan-covered bases.
Iscience, 26, 2023
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2PVC
 | | DNMT3L recognizes unmethylated histone H3 lysine 4 | | Descriptor: | DNA (cytosine-5)-methyltransferase 3-like, Histone H3 peptide, ZINC ION | | Authors: | Cheng, X. | | Deposit date: | 2007-05-09 | | Release date: | 2007-08-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.69 Å) | | Cite: | DNMT3L connects unmethylated lysine 4 of histone H3 to de novo methylation of DNA.
Nature, 448, 2007
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6PZB
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6PZI
 | | Cryo-EM structure of the pancreatic beta-cell SUR1 bound to ATP only | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8 | | Authors: | Shyng, S.L, Yoshioka, C, Martin, G.M, Sung, M.W. | | Deposit date: | 2019-07-31 | | Release date: | 2019-08-14 | | Last modified: | 2020-10-07 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Mechanism of pharmacochaperoning in a mammalian K ATP channel revealed by cryo-EM.
Elife, 8, 2019
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6PZA
 | | Cryo-EM structure of the pancreatic beta-cell SUR1 bound to ATP and glibenclamide | | Descriptor: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ... | | Authors: | Shyng, S.L, Yoshioka, C, Martin, G.M, Sung, M.W. | | Deposit date: | 2019-07-31 | | Release date: | 2019-08-14 | | Last modified: | 2020-10-07 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Mechanism of pharmacochaperoning in a mammalian K ATP channel revealed by cryo-EM.
Elife, 8, 2019
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6PZ9
 | | Cryo-EM structure of the pancreatic beta-cell SUR1 bound to ATP and repaglinide | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ATP-sensitive inward rectifier potassium channel 11, ... | | Authors: | Shyng, S.L, Yoshioka, C, Martin, G.M, Sung, M.W. | | Deposit date: | 2019-07-31 | | Release date: | 2019-08-14 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Mechanism of pharmacochaperoning in a mammalian K ATP channel revealed by cryo-EM.
Elife, 8, 2019
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2YKR
 | | 30S ribosomal subunit with RsgA bound in the presence of GMPPNP | | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | | Authors: | Guo, Q, Yuan, Y, Xu, Y, Feng, B, Liu, L, Chen, K, Lei, J, Gao, N. | | Deposit date: | 2011-05-30 | | Release date: | 2011-08-24 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (9.8 Å) | | Cite: | Structural Basis for the Function of a Small Gtpase Rsga on the 30S Ribosomal Subunit Maturation Revealed by Cryoelectron Microscopy.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2PV0
 | | DNA methyltransferase 3 like protein (DNMT3L) | | Descriptor: | DNA (cytosine-5)-methyltransferase 3-like, ZINC ION | | Authors: | Cheng, X. | | Deposit date: | 2007-05-09 | | Release date: | 2007-08-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | DNMT3L connects unmethylated lysine 4 of histone H3 to de novo methylation of DNA.
Nature, 448, 2007
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6PZC
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