6QD3
 
 | | MloK1 model from single particle analysis of 2D crystals, class 7 (intermediate conformation) | | Descriptor: | Cyclic nucleotide-gated potassium channel mll3241, POTASSIUM ION | | Authors: | Righetto, R, Biyani, N, Kowal, J, Chami, M, Stahlberg, H. | | Deposit date: | 2018-12-31 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | Retrieving high-resolution information from disordered 2D crystals by single-particle cryo-EM.
Nat Commun, 10, 2019
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2XB4
 | | Crystal structures of zinc containing Adenylate kinase from Desulfovibrio gigas | | Descriptor: | ADENYLATE KINASE, S,R MESO-TARTARIC ACID, ZINC ION | | Authors: | Mukhopadhyay, A, Kladova, A.V, Gavel, O.Y, Calvete, J.J, Shnyrov, V.L, Moura, I, Moura, J.J.G, Bursakov, S.A, Romao, M.J, Trincao, J. | | Deposit date: | 2010-04-05 | | Release date: | 2010-09-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the Zinc-, Cobalt-, and Iron-Containing Adenylate Kinase from Desulfovibrio Gigas: A Novel Metal-Containing Adenylate Kinase from Gram-Negative Bacteria.
J.Biol.Inorg.Chem., 16, 2011
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6QD1
 | | MloK1 model from single particle analysis of 2D crystals, class 5 (intermediate compact conformation) | | Descriptor: | Cyclic nucleotide-gated potassium channel mll3241, POTASSIUM ION | | Authors: | Righetto, R, Biyani, N, Kowal, J, Chami, M, Stahlberg, H. | | Deposit date: | 2018-12-31 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5.4 Å) | | Cite: | Retrieving high-resolution information from disordered 2D crystals by single-particle cryo-EM.
Nat Commun, 10, 2019
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3MTA
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4G6Z
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6QD4
 | | MloK1 model from single particle analysis of 2D crystals, class 8 (intermediate conformation) | | Descriptor: | Cyclic nucleotide-gated potassium channel mll3241, POTASSIUM ION | | Authors: | Righetto, R, Biyani, N, Kowal, J, Chami, M, Stahlberg, H. | | Deposit date: | 2018-12-31 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | Retrieving high-resolution information from disordered 2D crystals by single-particle cryo-EM.
Nat Commun, 10, 2019
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7K5J
 | | Structure of an E1-E2-ubiquitin thioester mimetic | | Descriptor: | ADENOSINE MONOPHOSPHATE, Ubiquitin, Ubiquitin-activating enzyme E1 1, ... | | Authors: | Yuan, L, Lv, Z, Olsen, S.K. | | Deposit date: | 2020-09-16 | | Release date: | 2021-04-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | Crystal structures of an E1-E2-ubiquitin thioester mimetic reveal molecular mechanisms of transthioesterification.
Nat Commun, 12, 2021
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1VC8
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3MTD
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6SO0
 | | NMR solution structure of the family 14 carbohydrate binding module (CBM14) from human chitotriosidase | | Descriptor: | Chitotriosidase-1 | | Authors: | Madland, E, Crasson, O, Vandevenne, M, Sorlie, M, Aachmann, F.L. | | Deposit date: | 2019-08-28 | | Release date: | 2020-01-15 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | NMR and Fluorescence Spectroscopies Reveal the Preorganized Binding Site in Family 14 Carbohydrate-Binding Module from Human Chitotriosidase.
Acs Omega, 4, 2019
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7KPY
 | | Crystal structure of CBP bromodomain liganded with UMB298 (compound 23) | | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{N}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine, Histone acetyltransferase | | Authors: | Schonbrunn, E, Bikowitz, M. | | Deposit date: | 2020-11-12 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of Dimethylisoxazole-Attached Imidazo[1,2- a ]pyridines as Potent and Selective CBP/P300 Inhibitors.
J.Med.Chem., 64, 2021
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5OX3
 | | Glycogen Phosphorylase in complex with SzB102v | | Descriptor: | (1S)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | | Deposit date: | 2017-09-05 | | Release date: | 2018-02-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
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3MTB
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5OMW
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5ONH
 | | Quaternary complex of wild type E. coli leucyl-tRNA synthetase with tRNA(leu), leucyl-adenylate analogue, and post-transfer editing analogue of norvaline in the aminoacylation conformation | | Descriptor: | 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, 5'-O-(L-leucylsulfamoyl)adenosine, L-leucyl-tRNA(Leu), ... | | Authors: | Palencia, A, Cusack, S. | | Deposit date: | 2017-08-03 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Kinetic Origin of Substrate Specificity in Post-Transfer Editing by Leucyl-tRNA Synthetase.
J. Mol. Biol., 430, 2018
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5OX4
 | | Glycogen Phosphorylase in complex with CK900 | | Descriptor: | (2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(4-aminophenyl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Stravodimos, G.A, Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | | Deposit date: | 2017-09-05 | | Release date: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Probing the beta-pocket of the active site of human liver glycogen phosphorylase with 3-(C-beta-d-glucopyranosyl)-5-(4-substituted-phenyl)-1, 2, 4-triazole inhibitors.
Bioorg. Chem., 77, 2018
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2XAM
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with ADP and IP6. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, INOSITOL-PENTAKISPHOSPHATE 2-KINASE, ... | | Authors: | Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5O52
 | | Glycogen Phosphorylase b in complex with 33b | | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1~{H}-imidazol-2-yl)oxane-3,4-diol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kantsadi, A.L, Kyriakis, E, Stravodimos, G.A, Solovou, T.G.A, Chatzileontiadou, D.S, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2017-05-31 | | Release date: | 2017-09-27 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Nanomolar Inhibitors of Glycogen Phosphorylase Based on beta-d-Glucosaminyl Heterocycles: A Combined Synthetic, Enzyme Kinetic, and Protein Crystallography Study.
J. Med. Chem., 60, 2017
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5O50
 | | Glycogen Phosphorylase b in complex with 33a | | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{H}-imidazol-2-yl)oxane-3,4-diol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kantsadi, A.L, Kyriakis, E, Stravodimos, G.A, Solovou, T.G.A, Chatzileontiadou, D.S, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2017-05-31 | | Release date: | 2017-09-27 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Nanomolar Inhibitors of Glycogen Phosphorylase Based on beta-d-Glucosaminyl Heterocycles: A Combined Synthetic, Enzyme Kinetic, and Protein Crystallography Study.
J. Med. Chem., 60, 2017
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6RM2
 | | Deoxyguanylosuccinate synthase (DgsS) structure with ATP, IMP, Magnesium | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, INOSINIC ACID, ... | | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | | Deposit date: | 2019-05-04 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, IMP, Magnesium at 2.5 Angstrom resolution
To Be Published
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5Q0C
 | | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylurea and with fructose-2,6-diphosphate | | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide | | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-04-18 | | Release date: | 2019-01-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylurea and with f2,6p
To be published
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4GRI
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7L5T
 | | Crystal Structure of the Oxacillin-hydrolyzing Class D Extended-spectrum Beta-lactamase OXA-14 from Pseudomonas aeruginosa in Complex with Covalently Bound Clavulanic Acid | | Descriptor: | (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Membrane Proteins of Infectious Diseases (MPID) | | Deposit date: | 2020-12-22 | | Release date: | 2021-12-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal Structure of the Oxacillin-hydrolyzing Class D Extended-spectrum Beta-lactamase OXA-14 from Pseudomonas aeruginosa in Complex with Covalently Bound Clavulanic Acid
To Be Published
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6S4P
 | | The crystal structure of glycogen phosphorylase in complex with 13 | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2019-06-28 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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6S7F
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