5MVQ
 
 | | Crystal structure of an unmodified, self-complementary dodecamer. | | Descriptor: | DNA, MAGNESIUM ION | | Authors: | Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. | | Deposit date: | 2017-01-17 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.604 Å) | | Cite: | 5-Formylcytosine does not change the global structure of DNA.
Nat. Struct. Mol. Biol., 24, 2017
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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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6C1D
 | | High-Resolution Cryo-EM Structures of Actin-bound Myosin States Reveal the Mechanism of Myosin Force Sensing | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Mentes, A, Huehn, A, Liu, X, Zwolak, A, Dominguez, R, Shuman, H, Ostap, E.M, Sindelar, C.V. | | Deposit date: | 2018-01-04 | | Release date: | 2018-01-31 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | High-resolution cryo-EM structures of actin-bound myosin states reveal the mechanism of myosin force sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6SHG
 | | Diffraction data for RoAb13 crystal co-crystallised with PIYDIN and its RoAb13 structure | | Descriptor: | Antibody RoAb13 Heavy Chain, Antibody RoAb13 Light Chain | | Authors: | Saridakis, E, Helliwell, J.R, Govada, L, Chain, B, Morgan, M, Kassen, S.C, Chayen, N.E. | | Deposit date: | 2019-08-06 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.35050821 Å) | | Cite: | X-ray crystallography based model of the antibody RoAb13 bound to peptidomimetics of the HIV receptor chemokine receptor CCR5
To Be Published
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6SHN
 | | Escherichia coli AGPase in complex with FBP. Symmetry C1 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase | | Authors: | Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E. | | Deposit date: | 2019-08-07 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM.
Curr Res Struct Biol, 2, 2020
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6I4S
 | | Crystal structure of the disease-causing R447G mutant of the human dihydrolipoamide dehydrogenase | | Descriptor: | Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Szabo, E, Wilk, P, Hubert, A, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | | Deposit date: | 2018-11-10 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
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6LP1
 | | Crystal structure of acetate:succinate CoA transferase (ASCT) from Trypanosoma brucei. | | Descriptor: | CALCIUM ION, GLYCEROL, Succinyl-CoA:3-ketoacid-coenzyme A transferase | | Authors: | Mochizuki, K, Inaoka, D.K, Shiba, T, Fukuda, K, Kurasawa, H, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Balogun, E.O, Harada, S, Hirayama, K, Kita, K. | | Deposit date: | 2020-01-08 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The ASCT/SCS cycle fuels mitochondrial ATP and acetate production in Trypanosoma brucei.
Biochim Biophys Acta Bioenerg, 1861, 2020
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5MVP
 | | Crystal structure of an A-DNA dodecamer containing the GGGCCC motif | | Descriptor: | DNA, POTASSIUM ION | | Authors: | Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. | | Deposit date: | 2017-01-17 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.606 Å) | | Cite: | 5-Formylcytosine does not change the global structure of DNA.
Nat. Struct. Mol. Biol., 24, 2017
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5MWA
 | | human sEH Phosphatase in complex with 3-4-3,4-dichlorophenyl-5-phenyl-1,3-oxazol-2-yl-benzoic-acid | | Descriptor: | 3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | | Authors: | Kramer, J.S, Pogoryelov, D, Sorrell, F.J, Fox, N, Chaikuad, A, Knapp, S, Proschak, E. | | Deposit date: | 2017-01-18 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of first in vivo active inhibitors of soluble epoxide hydrolase (sEH) phosphatase domain.
J.Med.Chem., 2019
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5JRM
 | | Crystal Structure of a Xylanase at 1.56 Angstroem resolution | | Descriptor: | Endo-1,4-beta-xylanase, GLYCEROL, SULFATE ION | | Authors: | Gomez, S, Payne, A.M, Savko, M, Fox, G.C, Shepard, W.E, Fernandez, F.J, Vega, M.C. | | Deposit date: | 2016-05-06 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal Structure of a Xylanase at 1.56 Angstroem resolution
To Be Published
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6LPL
 | | A2AR crystallized in EROCOC17+4, SS-ROX at 100 K | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | Authors: | Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M. | | Deposit date: | 2020-01-11 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography.
Sci Rep, 10, 2020
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6UXN
 | | Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine | | Descriptor: | Bcl-2 homologous antagonist/killer, GLYCEROL, O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, ... | | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2019-11-07 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
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8PMR
 | | NADase from Aspergillus fumigatus with mutated calcium binding motif (D219A/E220A) | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M. | | Deposit date: | 2023-06-29 | | Release date: | 2023-11-15 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Novel Calcium-Binding Motif Stabilizes and Increases the Activity of Aspergillus fumigatus Ecto-NADase.
Biochemistry, 62, 2023
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8E2I
 | | Cryo-EM structure of BIRC6/Smac | | Descriptor: | Baculoviral IAP repeat-containing protein 6, Diablo IAP-binding mitochondrial protein | | Authors: | Hunkeler, M, Fischer, E.S. | | Deposit date: | 2022-08-15 | | Release date: | 2023-02-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Structures of BIRC6-client complexes provide a mechanism of SMAC-mediated release of caspases.
Science, 379, 2023
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8DY7
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8E2K
 | | Cryo-EM structure of BIRC6/HtrA2-S306A | | Descriptor: | Baculoviral IAP repeat-containing protein 6, Serine protease HTRA2, mitochondrial | | Authors: | Hunkeler, M, Fischer, E.S. | | Deposit date: | 2022-08-15 | | Release date: | 2023-02-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structures of BIRC6-client complexes provide a mechanism of SMAC-mediated release of caspases.
Science, 379, 2023
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8PMS
 | | NADase from Aspergillus fumigatus with replaced C-terminus from Neurospora crassa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M. | | Deposit date: | 2023-06-29 | | Release date: | 2023-11-15 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Novel Calcium-Binding Motif Stabilizes and Increases the Activity of Aspergillus fumigatus Ecto-NADase.
Biochemistry, 62, 2023
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5MU6
 | | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and IMP-1088 inhibitor bound | | Descriptor: | 1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... | | Authors: | Perez-Dorado, I, Bell, A.S, Tate, E.W. | | Deposit date: | 2017-01-12 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
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6BUZ
 | | Cryo-EM structure of CENP-A nucleosome in complex with kinetochore protein CENP-N | | Descriptor: | DNA (147-MER), Histone H2A, Histone H2B, ... | | Authors: | Chittori, S, Hong, J, Kelly, A.E, Bai, Y, Subramaniam, S. | | Deposit date: | 2017-12-11 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.92 Å) | | Cite: | Structural mechanisms of centromeric nucleosome recognition by the kinetochore protein CENP-N.
Science, 359, 2018
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5JUG
 | | Structure of an inactive (E45Q) variant of a beta-1,4-mannanase, SsGH134, in complex with Man5 | | Descriptor: | CHLORIDE ION, GLYCEROL, alpha-D-mannopyranose, ... | | Authors: | Jin, Y, Petricevic, M, Goddard-Borger, E.D, Williams, S.J, Davies, G.J. | | Deposit date: | 2016-05-10 | | Release date: | 2016-11-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | A beta-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism.
ACS Cent Sci, 2, 2016
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5MUQ
 | | Crystal structure of DC8E8 Fab at pH 7.0 containing a Zn atom | | Descriptor: | IMIDAZOLE, ZINC ION, antibody Fab heavy chain, ... | | Authors: | Skrabana, R, Novak, M, Cehlar, O, Kontsekova, E. | | Deposit date: | 2017-01-13 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Crystal structure of DC8E8 Fab at pH 7.0 containing a Zn atom
To be published
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6ICD
 | | REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE | | Descriptor: | ISOCITRATE DEHYDROGENASE | | Authors: | Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. | | Deposit date: | 1990-05-30 | | Release date: | 1991-10-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
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6V6O
 | | EGFR(T790M/V948R) in complex with LN2380 | | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide | | Authors: | Heppner, D.E, Eck, M.J. | | Deposit date: | 2019-12-05 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
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6BWG
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8DY9
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