4XAR
 
 | | mGluR2 ECD and mGluR3 ECD complex with ligands | | Descriptor: | (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, IODIDE ION, Metabotropic glutamate receptor 3 | | Authors: | Clawson, D.K. | | Deposit date: | 2014-12-15 | | Release date: | 2015-02-11 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
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6REL
 | | Crystal structure of Pizza6-SH with CdCl2 nanocrystal | | Descriptor: | CADMIUM ION, CHLORIDE ION, Pizza6-SH | | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | | Deposit date: | 2019-04-12 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Artificial beta-Propeller Protein-based Hydrolases
To Be Published
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8G4Z
 | | E. coli DHFR complex with NADP+ and folate: EF-X off model by Laue diffraction (no electric field) | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R. | | Deposit date: | 2023-02-10 | | Release date: | 2024-01-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6XY1
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8G50
 | | E. coli DHFR complex with NADP+ and folate: EF-X excited state model by Laue diffraction (electric field along b axis; 8-fold extrapolation of structure factor differences) | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Klureza, M.A, Hekstra, D.R. | | Deposit date: | 2023-02-10 | | Release date: | 2024-01-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6REI
 | | Crystal structure of Pizza6-S with Cd2+ | | Descriptor: | CADMIUM ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | | Deposit date: | 2019-04-12 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Artificial beta-Propeller Protein-based Hydrolases
To Be Published
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6REM
 | | Crystal structure of Pizza6-SH with Sulphate ion | | Descriptor: | Pizza6-SH, SULFATE ION | | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | | Deposit date: | 2019-04-12 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Artificial beta-Propeller Protein-based Hydrolases
To Be Published
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6ECE
 | | Vlm2 thioesterase domain with genetically encoded 2,3-diaminopropionic acid bound with a dodecadepsipeptide, space group H3 | | Descriptor: | Vlm2, dodecadepsipeptide | | Authors: | Alonzo, D.A, Huguenin-Dezot, N, Heberlig, G.W, Mahesh, M, Nguyen, D.P, Dornan, M.H, Boddy, C.N, Chin, J.W, Schmeing, T.M. | | Deposit date: | 2018-08-07 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Trapping biosynthetic acyl-enzyme intermediates with encoded 2,3-diaminopropionic acid.
Nature, 565, 2019
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6UDT
 | | X-ray co-crystal structure of compound 10 bound to human Mcl-1 | | Descriptor: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X, Whittington, D. | | Deposit date: | 2019-09-19 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
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6UDU
 | | X-ray co-crystal structure of compound 8 bound to human Mcl-1 | | Descriptor: | (4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X, Whittington, D. | | Deposit date: | 2019-09-19 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
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6UDV
 | | X-ray co-crystal structure of compound 3 bound to human Mcl-1 | | Descriptor: | (4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X, Whittington, D. | | Deposit date: | 2019-09-19 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
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8GMH
 | | Crystal Structure of the ternary complex of TelA-LXG, LapA3, and LapA4 | | Descriptor: | 1,2-ETHANEDIOL, LXG domain-containing protein, LapA3, ... | | Authors: | Klein, T.A, Shah, P.Y, Gkragkopoulou, P, Grebenc, D.W, Kim, Y, Whitney, J.C. | | Deposit date: | 2023-03-25 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of a tripartite protein complex that targets toxins to the type VII secretion system.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6F0N
 | | GLIC mutant E82A | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Hu, H.D, Delarue, M. | | Deposit date: | 2017-11-20 | | Release date: | 2018-01-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
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6F15
 | | GLIC mutant H127Q | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Hu, H.D, Delarue, M. | | Deposit date: | 2017-11-21 | | Release date: | 2018-01-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
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8G4S
 | | 40S ribosomal subunit of the 80S Giardia intestinalis assemblage A ribosome with Emetine bound in V2 conformation with mRNA and three tRNAs. | | Descriptor: | 18S rRNA, 40S ribosomal protein S21, 40S ribosomal protein S25, ... | | Authors: | Eiler, D.R, Wimberly, B.T, Bilodeau, D.Y, Rissland, O.S, Kieft, J.S. | | Deposit date: | 2023-02-10 | | Release date: | 2024-01-31 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | The Giardia lamblia ribosome structure reveals divergence in several biological pathways and the mode of emetine function.
Structure, 32, 2024
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6R9D
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5IRZ
 | | Structure of TRPV1 determined in lipid nanodisc | | Descriptor: | (2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(pentanoyloxy)propan-2-yl decanoate, (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, (4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium, ... | | Authors: | Gao, Y, Cao, E, Julius, D, Cheng, Y. | | Deposit date: | 2016-03-15 | | Release date: | 2016-05-25 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | TRPV1 structures in nanodiscs reveal mechanisms of ligand and lipid action.
Nature, 534, 2016
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4XKX
 | | Crystal structure of BACE1 in complex with 2-aminooxazoline 3-azaxanthene inhibitor 28 | | Descriptor: | (5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | | Authors: | Whittington, D.A, Long, A.M. | | Deposit date: | 2015-01-12 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of 2-aminooxazoline 3-azaxanthenes as orally efficacious beta-secretase inhibitors for the potential treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 25, 2015
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6XNN
 | | Crystal Structure of Mouse STING CTD complex with SR-717. | | Descriptor: | 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, Stimulator of interferon genes protein | | Authors: | Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L. | | Deposit date: | 2020-07-03 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic.
Science, 369, 2020
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5IZ3
 | | P. patens sedoheptulose-1,7-bisphosphatase | | Descriptor: | IMIDAZOLE, PHOSPHATE ION, Predicted protein, ... | | Authors: | Einsle, O, Guetle, D. | | Deposit date: | 2016-03-24 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Chloroplast FBPase and SBPase are thioredoxin-linked enzymes with similar architecture but different evolutionary histories.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8KE2
 | | PylRS C-terminus domain mutant bound with L-3-trifluoromethylphenylalanine and AMPNP | | Descriptor: | (2S)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Weng, J.H, Tsai, M.D, Wang, Y.S. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.19639969 Å) | | Cite: | Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids.
Front Genet, 14, 2023
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7AJU
 | | Cryo-EM structure of the 90S-exosome super-complex (state Post-A1-exosome) | | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ... | | Authors: | Cheng, J, Lau, B, Flemming, D, Venuta, G.L, Berninghausen, O, Beckmann, R, Hurt, E. | | Deposit date: | 2020-09-29 | | Release date: | 2020-12-30 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of the Maturing 90S Pre-ribosome in Association with the RNA Exosome.
Mol.Cell, 81, 2021
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6ULG
 | | Cryo-EM structure of the FLCN-FNIP2-Rag-Ragulator complex | | Descriptor: | Folliculin, Folliculin-interacting protein 2, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Shen, K, Rogala, K.B, Yu, Z.H, Sabatini, D.M. | | Deposit date: | 2019-10-08 | | Release date: | 2019-11-20 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Cryo-EM Structure of the Human FLCN-FNIP2-Rag-Ragulator Complex.
Cell, 179, 2019
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8KE3
 | | PylRS C-terminus domain mutant bound with D-3-trifluoromethylphenylalanine and AMPNP | | Descriptor: | (2R)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Weng, J.H, Tsai, M.D, Wang, Y.S. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.89980984 Å) | | Cite: | Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids.
Front Genet, 14, 2023
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6O7H
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