7LXH
 
 | | Bacillus cereus DNA glycosylase AlkD bound to a CC1065-adenine nucleobase adduct and DNA containing an abasic site | | Descriptor: | 7-{7-[(1R)-1-{[(4P)-6-amino-3H-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboxamide, CALCIUM ION, DNA (5'-D(*AP*GP*CP*AP*AP*(ORP)P*GP*GP*C)-3'), ... | | Authors: | Mullins, E.A, Eichman, B.F. | | Deposit date: | 2021-03-03 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.667 Å) | | Cite: | Structural evolution of a DNA repair self-resistance mechanism targeting genotoxic secondary metabolites.
Nat Commun, 12, 2021
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6ARF
 | | Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with potassium ions | | Descriptor: | Acetyl-CoA acetyltransferase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Marshall, A.C, Bond, C.S, Bruning, J.B. | | Deposit date: | 2017-08-22 | | Release date: | 2018-05-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations
Acs Catalysis, 8(3), 2018
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6GVM
 | | Tubulin:F3II DARPin complex | | Descriptor: | F3II DARPIN, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Gigant, B, Campanacci, V, Cantos Fernandes, S. | | Deposit date: | 2018-06-21 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Insight into microtubule nucleation from tubulin-capping proteins.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7LXJ
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5C1M
 | | Crystal structure of active mu-opioid receptor bound to the agonist BU72 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ... | | Authors: | Huang, W.J, Manglik, A, Venkatakrishnan, A.J, Laeremans, T, Feinberg, E.N, Sanborn, A.L, Kato, H.E, Livingston, K.E, Thorsen, T.S, Kling, R, Granier, S, Gmeiner, P, Husbands, S.M, Traynor, J.R, Weis, W.I, Steyaert, J, Dror, R.O, Kobilka, B.K. | | Deposit date: | 2015-06-15 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural insights into mu-opioid receptor activation.
Nature, 524, 2015
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7L8O
 | | OXA-48 bound by Compound 4.3 | | Descriptor: | 1,2-ETHANEDIOL, 9H-fluorene-2,7-disulfonate, Beta-lactamase, ... | | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2020-12-31 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
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6AYQ
 | | Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A | | Descriptor: | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, GLYCEROL | | Authors: | Cameron, S.A, Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2017-09-08 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
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5C40
 | | Crystal structure of human ribokinase in complex with AMPPCP in P21 spacegroup | | Descriptor: | PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ribokinase, ... | | Authors: | Park, J, Chakrabarti, J, Singh, B, Gupta, R.S, Junop, M.S. | | Deposit date: | 2015-06-17 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of human ribokinase in complex with AMPPCP in P21 spacegroup
To Be Published
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6H2O
 | | APO structure of Phenylalanine ammonia-lyase from Petroselinum crispum | | Descriptor: | Phenylalanine ammonia-lyase 1 | | Authors: | Molnar, B, Bata, Z, Leveles, I, Poppe, L, Vertessy, G.B. | | Deposit date: | 2018-07-14 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Substrate Tunnel Engineering Aided by X-ray Crystallography and Functional Dynamics Swaps the Function of MIO-Enzymes
Acs Catalysis, 2021
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6GXW
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 4 | | Descriptor: | (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-06-27 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.071 Å) | | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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4PA9
 | | Structure of NavMS in complex with channel blocking compound | | Descriptor: | BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ... | | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | | Deposit date: | 2014-04-07 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.43 Å) | | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4PTV
 | | Halothermothrix orenii beta-glucosidase A, thiocellobiose complex | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CESIUM ION, Glycoside hydrolase family 1, ... | | Authors: | Hassan, N, Nguyen, T.H, Kori, L.D, Patel, B.K.C, Haltrich, D, Divne, C, Tan, T.C. | | Deposit date: | 2014-03-11 | | Release date: | 2014-09-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Biochemical and structural characterization of a thermostable beta-glucosidase from Halothermothrix orenii for galacto-oligosaccharide synthesis.
Appl.Microbiol.Biotechnol., 99, 2015
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5FBO
 | | BTK-inhibitor co-structure | | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | | Authors: | Fischmann, T.O. | | Deposit date: | 2015-12-14 | | Release date: | 2016-03-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.894 Å) | | Cite: | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
ACS Med Chem Lett, 7, 2016
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3FM5
 | | X-ray crystal structure of transcriptional regulator (MarR family) from Rhodococcus sp. RHA1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nocek, B, Xu, X, Zheng, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-12-19 | | Release date: | 2009-02-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray crystal structure of transcriptional regulator (MarR family) from Rhodococcus sp. RHA1
To be Published
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8DWT
 | | SPOP W22R Form 2 | | Descriptor: | Speckle-type POZ protein | | Authors: | Cuneo, M.J, Mittag, T, O'Flynn, B, Lo, Y.H. | | Deposit date: | 2022-08-02 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Higher-order SPOP assembly reveals a basis for cancer mutant dysregulation.
Mol.Cell, 83, 2023
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7RD6
 | | Structure of the S. cerevisiae P4B ATPase lipid flippase in the E2P state | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Probable phospholipid-transporting ATPase NEO1 | | Authors: | Bai, L, Jain, B.K, You, Q, Duan, H.D, Graham, T.R, Li, H. | | Deposit date: | 2021-07-09 | | Release date: | 2021-09-29 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Structural basis of the P4B ATPase lipid flippase activity.
Nat Commun, 12, 2021
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7RD7
 | | Structure of the S. cerevisiae P4B ATPase lipid flippase in the E2P-transition state | | Descriptor: | MAGNESIUM ION, Probable phospholipid-transporting ATPase NEO1, TETRAFLUOROALUMINATE ION | | Authors: | Bai, L, Jain, B.K, You, Q, Duan, H.D, Graham, T.R, Li, H. | | Deposit date: | 2021-07-09 | | Release date: | 2021-09-29 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Structural basis of the P4B ATPase lipid flippase activity.
Nat Commun, 12, 2021
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7RD8
 | | Structure of the S. cerevisiae P4B ATPase lipid flippase in the E1-ATP state | | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Probable phospholipid-transporting ATPase NEO1 | | Authors: | Bai, L, Jain, B.K, You, Q, Duan, H.D, Graham, T.R, Li, H. | | Deposit date: | 2021-07-09 | | Release date: | 2021-09-29 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (5.64 Å) | | Cite: | Structural basis of the P4B ATPase lipid flippase activity.
Nat Commun, 12, 2021
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8DWV
 | | Full-length wild type SPOP | | Descriptor: | Speckle-type POZ protein | | Authors: | Cuneo, M.J, Mittag, T, O'Flynn, B, Lo, Y.H. | | Deposit date: | 2022-08-02 | | Release date: | 2023-01-18 | | Last modified: | 2023-03-22 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Higher-order SPOP assembly reveals a basis for cancer mutant dysregulation.
Mol.Cell, 83, 2023
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8DWS
 | | Full-length E47K SPOP | | Descriptor: | Speckle-type POZ protein | | Authors: | Cuneo, M.J, Mittag, T, O'Flynn, B, Lo, Y.H. | | Deposit date: | 2022-08-02 | | Release date: | 2023-01-18 | | Last modified: | 2023-03-22 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Higher-order SPOP assembly reveals a basis for cancer mutant dysregulation.
Mol.Cell, 83, 2023
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8DWU
 | | SPOP W22R Form 1 | | Descriptor: | Speckle-type POZ protein | | Authors: | Cuneo, M.J, Mittag, T, O'Flynn, B. | | Deposit date: | 2022-08-02 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Higher-order SPOP assembly reveals a basis for cancer mutant dysregulation.
Mol.Cell, 83, 2023
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5FG5
 | | Crystal structure of the bromodomain of human BRPF1 in complex with PFI-4 chemical probe | | Descriptor: | NITRATE ION, Peregrin, ~{N}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide | | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Brennan, P.E, Knapp, S. | | Deposit date: | 2015-12-20 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the bromodomain of human BRPF1 in complex with PFI-4 chemical probe
To Be Published
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5T7H
 | | Crystal structure of dimeric yeast iso-1-cytochrome C with CYMAL6 | | Descriptor: | 6-cyclohexylhexan-1-ol, Cytochrome c iso-1, HEME C, ... | | Authors: | Mcclelland, L, Mou, T.C, Sprang, S.R, Bowler, B.E. | | Deposit date: | 2016-09-05 | | Release date: | 2017-03-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | Cytochrome c Can Form a Well-Defined Binding Pocket for Hydrocarbons.
J. Am. Chem. Soc., 138, 2016
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6ST8
 | | Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein | | Descriptor: | Major strawberry allergen Fra a 1-2 | | Authors: | Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C. | | Deposit date: | 2019-09-10 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
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7RL2
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