8RGW
| Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa, 12 drops merged | Descriptor: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | Deposit date: | 2023-12-14 | Release date: | 2023-12-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates. Acta Crystallogr D Struct Biol, 80, 2024
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7B5P
| AcrB in cycloalkane amphipol | Descriptor: | Efflux pump membrane transporter | Authors: | Higgins, A.J, Flynn, A.J, Muench, S.P. | Deposit date: | 2020-12-05 | Release date: | 2021-12-08 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cycloalkane-modified amphiphilic polymers provide direct extraction of membrane proteins for CryoEM analysis. Commun Biol, 4, 2021
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7URV
| FMC63 scFv in complex with soluble CD19 | Descriptor: | B-lymphocyte antigen CD19, FMC63 single-chain variable fragment | Authors: | Meyerson, J, He, C. | Deposit date: | 2022-04-22 | Release date: | 2023-02-15 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | CD19 CAR antigen engagement mechanisms and affinity tuning. Sci Immunol, 8, 2023
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2YXV
| The deletion mutant of Multicopper Oxidase CueO | Descriptor: | Blue copper oxidase cueO, COPPER (II) ION, CU-O-CU LINKAGE, ... | Authors: | Higuchi, Y, Komori, H. | Deposit date: | 2007-04-27 | Release date: | 2008-01-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure and function of the engineered multicopper oxidase CueO from Escherichia coli--deletion of the methionine-rich helical region covering the substrate-binding site J.Mol.Biol., 373, 2007
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5LY7
| Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin | Descriptor: | 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, Beta-hexosaminidase, DI(HYDROXYETHYL)ETHER | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | Deposit date: | 2016-09-25 | Release date: | 2017-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
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5LZ9
| Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | Descriptor: | 2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ... | Authors: | Woolford, A, Day, P. | Deposit date: | 2016-09-29 | Release date: | 2016-12-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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5M03
| Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-noeuromycin and 1,2-alpha-mannobiose | Descriptor: | (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | Deposit date: | 2016-10-03 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase. J. Am. Chem. Soc., 139, 2017
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7US3
| Structure of Putrescine N-hydroxylase Involved Complexed with NADP+ | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putrescine N-hydroxylase, ... | Authors: | Tanner, J.J, Bogner, A.N. | Deposit date: | 2022-04-22 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Kinetic and Structural Characterization of a Flavin-Dependent Putrescine N -Hydroxylase from Acinetobacter baumannii. Biochemistry, 61, 2022
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5M0Z
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5LZ5
| Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | Descriptor: | 2-fluoranyl-5-[2-[(4~{S})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | Authors: | Woolford, A.J.A, Day, P.J. | Deposit date: | 2016-09-29 | Release date: | 2016-12-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
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7UKJ
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7UVC
| Rad6(P43L)-Bre1 Complex | Descriptor: | E3 ubiquitin-protein ligase BRE1, Ubiquitin-conjugating enzyme E2 2 | Authors: | Shukla, P.K, Chandrasekharan, M.B. | Deposit date: | 2022-04-29 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structure and functional determinants of Rad6-Bre1 subunits in the histone H2B ubiquitin-conjugating complex. Nucleic Acids Res., 51, 2023
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5LC8
| Crystal Structure of specific mutant from Pseudomonas aeruginosa Lipoxygenase at 1.8A resolution | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate, Arachidonate 15-lipoxygenase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kalms, J, Banthiya, S, Galemou Yoga, E, Kuhn, H, Scheerer, P. | Deposit date: | 2016-06-20 | Release date: | 2017-01-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of Pseudomonas aeruginosa lipoxygenase Ala420Gly mutant explains the improved oxygen affinity and the altered reaction specificity. Biochim. Biophys. Acta, 1862, 2017
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1PF3
| Crystal Structure of the M441L mutant of the multicopper oxidase CueO | Descriptor: | Blue copper oxidase cueO, COPPER (II) ION, CU-CL-CU LINKAGE | Authors: | Roberts, S.A, Wildner, G.F, Grass, G, Weichsel, A, Ambrus, A, Rensing, C, Montfort, W.R. | Deposit date: | 2003-05-23 | Release date: | 2003-06-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Labile Regulatory Copper Ion Lies Near the T1 Copper Site in the Multicopper Oxidase CueO. J.Biol.Chem., 278, 2003
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7JPX
| Rabbit Cav1.1 in the presence of 100 micromolar amlodipine in nanodiscs at 2.9 Angstrom resolution | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ... | Authors: | Yan, N, Gao, S. | Deposit date: | 2020-08-10 | Release date: | 2020-11-18 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca v 1.1 by Dihydropyridine Compounds*. Angew.Chem.Int.Ed.Engl., 60, 2021
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7UT5
| Acinetobacter baumannii dihydroorotate dehydrogenase bound with inhibitor DSM186 | Descriptor: | (4R)-7-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ... | Authors: | Deng, X, Phillips, M, Tomchick, D. | Deposit date: | 2022-04-26 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Repurposed dihydroorotate dehydrogenase inhibitors with efficacy against drug-resistant Acinetobacter baumannii. Proc.Natl.Acad.Sci.USA, 119, 2022
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7JRO
| Plant Mitochondrial complex IV from Vigna radiata | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, CARDIOLIPIN, ... | Authors: | Maldonado, M, Letts, J.A. | Deposit date: | 2020-08-12 | Release date: | 2021-01-20 | Last modified: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Atomic structures of respiratory complex III 2 , complex IV, and supercomplex III 2 -IV from vascular plants. Elife, 10, 2021
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7UV8
| Rad6-Bre1 Complex | Descriptor: | E3 ubiquitin-protein ligase BRE1, Ubiquitin-conjugating enzyme E2 2 | Authors: | Shukla, P.K, Chandrasekharan, M.B. | Deposit date: | 2022-04-29 | Release date: | 2023-01-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and functional determinants of Rad6-Bre1 subunits in the histone H2B ubiquitin-conjugating complex. Nucleic Acids Res., 51, 2023
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4ZVU
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7JMU
| Hen egg-white lysozyme with ionic liquid ethylammonium nitrate | Descriptor: | Lysozyme C, NITRATE ION | Authors: | Han, Q, Darmanin, C, Smith, K, Greaves, T, Drummond, C. | Deposit date: | 2020-08-02 | Release date: | 2020-11-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Lysozyme conformational changes with ionic liquids: Spectroscopic, small angle x-ray scattering and crystallographic study. J Colloid Interface Sci, 585, 2021
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7UDF
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7V0Z
| Factor XIa in Complex with Compound 2a | Descriptor: | Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | Deposit date: | 2022-05-11 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7UFU
| Cryo-EM Structure of Bl_Man38A nucleophile mutant in complex with mannose at 2.7 A | Descriptor: | Alpha-mannosidase, ZINC ION, alpha-D-mannopyranose | Authors: | Santos, C.R, Cordeiro, R.L, Domingues, M.N, Borges, A.C, de Farias, M.A, Van Heel, M, Murakami, M.T, Portugal, R.V. | Deposit date: | 2022-03-23 | Release date: | 2022-11-16 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM Structure of Bl_Man38A nucleophile mutant in complex with mannose at 2.7 A Nat.Chem.Biol., 2022
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7JV9
| Human CD73 (ecto 5'-nucleotidase) in complex with compound 12 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, 6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ... | Authors: | Gibbons, P, Du, X. | Deposit date: | 2020-08-20 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production. J.Med.Chem., 63, 2020
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7V16
| Factor XIa in Complex with Compound 2j | Descriptor: | 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | Authors: | Shaffer, P.L, Milligan, C.M. | Deposit date: | 2022-05-11 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.505 Å) | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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