4F49
 
 | | 2.25A resolution structure of Transmissible Gastroenteritis Virus Protease containing a covalently bound Dipeptidyl Inhibitor | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.-C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | | Deposit date: | 2012-05-10 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
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4FK1
 | | Crystal Structure of Putative Thioredoxin Reductase TrxB from Bacillus anthracis | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Maltseva, N, Kim, Y, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-06-12 | | Release date: | 2012-08-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.404 Å) | | Cite: | Crystal Structure of Putative Thioredoxin Reductase TrxB from Bacillus anthracis
To be Published
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8VZF
 | | Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthase ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, Coenzyme A, and ADP | | Descriptor: | 1,2-ETHANEDIOL, 2-Hydroxyacyl-CoA Lyase/Synthase, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Gade, P, Kim, Y, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2024-02-11 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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8VZA
 | | Crystal Structure of 2-Hydroxacyl-CoA Lyase/Synthase ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, L-Lactyl-CoA, and ADP | | Descriptor: | 2-Hydroxyacyl-CoA lyase/Synthase, 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, ACETYL GROUP, ... | | Authors: | Gade, P, Kim, Y, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2024-02-11 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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8VZB
 | | Crystal Structure of 2-Hydroxacyl-CoA Lyase/Synthase ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, D-Lactyl-CoA, and ADP | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, ACETIC ACID, ... | | Authors: | Gade, P, Kim, Y, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2024-02-11 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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8VZC
 | | Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthse ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, Formyl-CoA, and ADP | | Descriptor: | 1,2-ETHANEDIOL, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(hydroxymethyl)-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Gade, P, Kim, Y, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2024-02-11 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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6VJC
 | | LmFPPS mutant T164Y in complex with 476A, IPP & Ca | | Descriptor: | 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ... | | Authors: | Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B. | | Deposit date: | 2020-01-15 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
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5KZV
 | | Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with 20(S)-hydroxycholesterol | | Descriptor: | (3alpha,8alpha)-cholest-5-ene-3,20-diol, Smoothened | | Authors: | Huang, P, Kim, Y, Salic, A. | | Deposit date: | 2016-07-25 | | Release date: | 2016-08-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.616 Å) | | Cite: | Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling.
Cell, 166, 2016
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5KZY
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5KZZ
 | | Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in its apo-form | | Descriptor: | ACETATE ION, GLYCEROL, Smoothened, ... | | Authors: | Huang, P, Kim, Y, Salic, A. | | Deposit date: | 2016-07-25 | | Release date: | 2016-08-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.332 Å) | | Cite: | Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling.
Cell, 166, 2016
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6W7I
 | | LmFPPS mutant T164W in complex with 476A, IPP & Ca | | Descriptor: | 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ... | | Authors: | Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B. | | Deposit date: | 2020-03-19 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
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1EQ8
 | | THREE-DIMENSIONAL STRUCTURE OF THE PENTAMERIC HELICAL BUNDLE OF THE ACETYLCHOLINE RECEPTOR M2 TRANSMEMBRANE SEGMENT | | Descriptor: | ACETYLCHOLINE RECEPTOR PROTEIN | | Authors: | Marassi, F.M, Gesell, J.J, Kim, Y, Valente, A.P, Oblatt-Montal, M, Montal, M, Opella, S.J. | | Deposit date: | 2000-04-03 | | Release date: | 2000-04-26 | | Last modified: | 2024-09-25 | | Method: | SOLID-STATE NMR | | Cite: | Structures of the M2 channel-lining segments from nicotinic acetylcholine and NMDA receptors by NMR spectroscopy.
Nat.Struct.Biol., 6, 1999
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8GHX
 | | Crystal Structure of CelD Cellulase from the Anaerobic Fungus Piromyces finnis | | Descriptor: | 1,2-ETHANEDIOL, Cellulase CelD | | Authors: | Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2023-03-13 | | Release date: | 2023-05-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023
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8GHY
 | | Crystal Structure of the E154D mutant CelD Cellulase from the Anaerobic Fungus Piromyces finnis in the complex with cellotriose. | | Descriptor: | Cellulase CelD, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2023-03-13 | | Release date: | 2023-05-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023
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6WW1
 | | Crystal structure of the LmFPPS mutant E97Y | | Descriptor: | 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ... | | Authors: | Maheshwari, S, Kim, Y.S, Gabelli, S.B. | | Deposit date: | 2020-05-07 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
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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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4XBC
 | | 1.60 A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (Hexagonal Form) | | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-LIKE PROTEASE, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | | Deposit date: | 2014-12-16 | | Release date: | 2015-03-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies.
J.Med.Chem., 58, 2015
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7EWL
 | | cryo-EM structure of apo GPR158 | | Descriptor: | Probable G-protein coupled receptor 158 | | Authors: | Jeong, E, Kim, Y, Jeong, J, Cho, Y. | | Deposit date: | 2021-05-25 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Structure of the class C orphan GPCR GPR158 in complex with RGS7-G beta 5.
Nat Commun, 12, 2021
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4XBB
 | | 1.85A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate | | Descriptor: | 3C-LIKE PROTEASE, SULFATE ION, diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | | Deposit date: | 2014-12-16 | | Release date: | 2015-03-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies.
J.Med.Chem., 58, 2015
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1U14
 | | The crystal structure of hypothetical UPF0244 protein yjjX at resolution 1.68 Angstrom | | Descriptor: | Hypothetical UPF0244 protein yjjX, PHOSPHATE ION | | Authors: | Qiu, Y, Kim, Y, Cuff, M, Collart, F, Joachimiak, A, Kossiakoff, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-07-14 | | Release date: | 2004-09-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | The crystal structure of hypothetical UPF0244 protein yjjX at resolution 1.68 Angstrom
To be Published
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6UHH
 | | Crystal Structure of Human RYR Receptor 3 ( 848-1055) in Complex with ATP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wu, R, Kim, Y, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2019-09-27 | | Release date: | 2020-08-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.138 Å) | | Cite: | Crystal Structure of Human RYR Receptor 3 ( 848-1055) in Complex with ATP
To Be Published
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6UHA
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6V72
 | | Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase II, CALCIUM ION, ... | | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-12-06 | | Release date: | 2019-12-25 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis
To Be Published
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6V70
 | | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Cadmium in the Active Site | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CADMIUM ION, ... | | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-12-06 | | Release date: | 2019-12-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica.
To Be Published
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6VH3
 | | 2.20 A resolution structure of MERS 3CL protease in complex with inhibitor 7j | | Descriptor: | (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein | | Authors: | Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | | Deposit date: | 2020-01-09 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
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