6YIJ
 
 | | Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand | | Descriptor: | (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one, CREBBP | | Authors: | Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P. | | Deposit date: | 2020-04-01 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
To Be Published
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8C3D
 | | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CALCIUM ION, Cathepsin K | | Authors: | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | | Deposit date: | 2022-12-23 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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8W1I
 | | Cryo-EM structure of BTV subcore | | Descriptor: | Core protein VP3 | | Authors: | Xia, X, Sung, P.Y, Martynowycz, M.W, Gonen, T, Roy, P, Zhou, Z.H. | | Deposit date: | 2024-02-16 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (6.5 Å) | | Cite: | RNA genome packaging and capsid assembly of bluetongue virus visualized in host cells.
Cell, 187, 2024
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6VUB
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8W1R
 | | Cryo-EM structure of BTV core | | Descriptor: | Core protein VP3, RNA-directed RNA polymerase | | Authors: | Xia, X, Sung, P.Y, Martynowycz, M.W, Gonen, T, Roy, P, Zhou, Z.H. | | Deposit date: | 2024-02-17 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | RNA genome packaging and capsid assembly of bluetongue virus visualized in host cells.
Cell, 187, 2024
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6VUF
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8CNN
 | | BeF3 Phospho-HRas GSA complex | | Descriptor: | ACETATE ION, BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Baumann, P, Jin, Y. | | Deposit date: | 2023-02-23 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
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8CNJ
 | | HRas(1-166) in complex with GDP and BeF3- | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BERYLLIUM TRIFLUORIDE ION, GTPase HRas, ... | | Authors: | Baumann, P, Jin, Y. | | Deposit date: | 2023-02-23 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
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8C0V
 | | Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate in single seam state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ruettermann, M, Koci, M, Lill, P, Geladas, E.D, Kaschani, F, Klink, B.U, Erdmann, R, Gatsogiannis, C. | | Deposit date: | 2022-12-19 | | Release date: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate.
Nat Commun, 14, 2023
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6MO6
 | | Crystal structure of the selenomethionine-substituted human sulfide:quinone oxidoreductase | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Sulfide:quinone oxidoreductase, ... | | Authors: | Jackson, M.R, Jorns, M.S, Loll, P.J. | | Deposit date: | 2018-10-04 | | Release date: | 2019-04-10 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | X-Ray Structure of Human Sulfide:Quinone Oxidoreductase: Insights into the Mechanism of Mitochondrial Hydrogen Sulfide Oxidation.
Structure, 27, 2019
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8C0W
 | | Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate in twin seam state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ruettermann, M, Koci, M, Lill, P, Geladas, E.D, Kaschani, F, Klink, B.U, Erdmann, R, Gatsogiannis, C. | | Deposit date: | 2022-12-19 | | Release date: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate.
Nat Commun, 14, 2023
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8A1R
 | | cryo-EM structure of thioredoxin glutathione reductase in complex with a non-competitive inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | | Authors: | Ardini, M, Angelucci, F, Fata, F, Gabriele, F, Effantin, G, Ling, W, Williams, D.L, Petukhova, V.Z, Petukhov, P.A. | | Deposit date: | 2022-06-01 | | Release date: | 2023-06-14 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Non-covalent inhibitors of thioredoxin glutathione reductase with schistosomicidal activity in vivo.
Nat Commun, 14, 2023
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8W19
 | | Cryo-EM structure of BTV star-subcore | | Descriptor: | Core protein VP3, VP6 | | Authors: | Xia, X, Sung, P.Y, Martynowycz, M.W, Gonen, T, Roy, P, Zhou, Z.H. | | Deposit date: | 2024-02-15 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | RNA genome packaging and capsid assembly of bluetongue virus visualized in host cells.
Cell, 187, 2024
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8A50
 | | Crystal structure of HSF2BP-ALPHA1 tetramer | | Descriptor: | Heat shock factor 2-binding protein, PHOSPHATE ION | | Authors: | Miron, S, Legrand, P, Ropars, V, Ghouil, R, Zinn-Justin, S. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.484 Å) | | Cite: | BRCA2-HSF2BP oligomeric ring disassembly by BRME1 promotes homologous recombination.
Sci Adv, 9, 2023
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6YNE
 | | GAPDH purified from the supernatant of HEK293F cells: crystal form 2 of 4. | | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase | | Authors: | Roversi, P, Lia, A. | | Deposit date: | 2020-04-13 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.853 Å) | | Cite: | Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid.
Wellcome Open Res, 5, 2020
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6UNA
 | | Crystal structure of inactive p38gamma | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 12, SULFATE ION | | Authors: | Aoto, P.C, Stanfield, R.L, Wilson, I.A, Dyson, H.J, Wright, P.E. | | Deposit date: | 2019-10-11 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.554 Å) | | Cite: | A Dynamic Switch in Inactive p38 gamma Leads to an Excited State on the Pathway to an Active Kinase.
Biochemistry, 58, 2019
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7KN8
 | | Crystal structure of the GH74 xyloglucanase from Xanthomonas campestris (Xcc1752) | | Descriptor: | 1,2-ETHANEDIOL, Cellulase, IODIDE ION, ... | | Authors: | Araujo, E.A, Vieira, P.S, Murakami, M.T, Polikarpov, I. | | Deposit date: | 2020-11-04 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Xyloglucan processing machinery in Xanthomonas pathogens and its role in the transcriptional activation of virulence factors
Nature Communications, 12, 2021
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8G5E
 | | Crystal Structure of SETDB1 Tudor domain in complex with UNC6535 | | Descriptor: | Histone-lysine N-methyltransferase SETDB1, N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine, UNKNOWN ATOM OR ION | | Authors: | Beldar, S, Dong, A, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-02-13 | | Release date: | 2023-02-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal Structure of SETDB1 Tudor domain in complex with UNC6535
To be published
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6YRW
 | | SHMT from Streptococcus thermophilus Tyr55Ser variant as internal aldimine and as non-covalent complex with D-Ser | | Descriptor: | D-SERINE, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Petrillo, G, Hernandez, K, Bujons, J, Clapes, P, Uson, I. | | Deposit date: | 2020-04-20 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into nucleophile substrate specificity in variants of N-Serine hydroxymethyltransferase from Streptococcus thermophilus
To Be Published
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8Q9T
 | | CryoEM structure of a S. Cerevisiae Ski238 complex bound to RNA | | Descriptor: | Antiviral helicase SKI2, Antiviral protein SKI8, RNA (5'-R(P*UP*UP*UP*U)-3'), ... | | Authors: | Keidel, A, Koegel, A, Reichelt, P, Kowalinski, E, Schaefer, I.B, Conti, E. | | Deposit date: | 2023-08-21 | | Release date: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Concerted structural rearrangements enable RNA channeling into the cytoplasmic Ski238-Ski7-exosome assembly.
Mol.Cell, 83, 2023
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1OHM
 | | Sakacin P variant that is structurally stabilized by an inserted C-terminal disulfide bridge. | | Descriptor: | BACTERIOCIN SAKACIN P | | Authors: | Uteng, M, Hauge, H.H, Markwick, P.R, Fimland, G, Mantzilas, D, Nissen-Meyer, J, Muhle-Goll, C. | | Deposit date: | 2003-05-28 | | Release date: | 2003-09-22 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Three-Dimensional Structure in Lipid Micelles of the Pediocin-Like Antimicrobial Peptide Sakacin P and a Sakacin P Variant that is Structurally Stabilized by an Inserted C-Terminal Disulfide Bridge
Biochemistry, 42, 2003
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8R5J
 | | Crystal structure of MERS-CoV main protease | | Descriptor: | Non-structural protein 11 | | Authors: | Balcomb, B.H, Fairhead, M, Koekemoer, L, Lithgo, R.M, Aschenbrenner, J.C, Chandran, A.V, Godoy, A.S, Lukacik, P, Marples, P.G, Mazzorana, M, Ni, X, Strain-Damerell, C, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-11-16 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Crystal structure of MERS-CoV main protease
To Be Published
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6YHR
 | | Crystal structure of Werner syndrome helicase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Werner syndrome ATP-dependent helicase, ZINC ION | | Authors: | Newman, J.A, Gavard, A.E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-03-30 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the helicase core of Werner helicase, a key target in microsatellite instability cancers.
Life Sci Alliance, 4, 2021
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6R2C
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD after soaking with succinylphosphonate phosphonoethyl ester (PESP) | | Descriptor: | 4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic acid, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Wagner, T, Alzari, P.M, Bellinzoni, M. | | Deposit date: | 2019-03-15 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts.
J.Struct.Biol., 208, 2019
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6BNO
 | | Structure of bare actin filament | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Gurel, P.S, Alushin, G.A. | | Deposit date: | 2017-11-17 | | Release date: | 2018-01-10 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (5.5 Å) | | Cite: | Cryo-EM structures reveal specialization at the myosin VI-actin interface and a mechanism of force sensitivity.
Elife, 6, 2017
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