7K1L
 
 | | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-2',3'-Vanadate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ... | | Authors: | Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Welk, L, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-09-07 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
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7K1K
 | | CryoEM structure of inactivated-form DNA-PK (Complex IV) | | Descriptor: | DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*A)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit, ... | | Authors: | Chen, X, Gellert, M, Yang, W. | | Deposit date: | 2020-09-07 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
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1XDQ
 | | Structural and Biochemical Identification of a Novel Bacterial Oxidoreductase | | Descriptor: | Bacterial Sulfite Oxidase, MOLYBDENUM ATOM, OXYGEN ATOM, ... | | Authors: | Loschi, L, Brokx, S.J, Hills, T.L, Zhang, G, Bertero, M.G, Lovering, A.L, Weiner, J.H, Strynadka, N.C. | | Deposit date: | 2004-09-07 | | Release date: | 2004-10-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and biochemical identification of a novel bacterial oxidoreductase.
J.Biol.Chem., 279, 2004
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7UWP
 | | Detergent-bound CYP51 from Acanthamoeba castellanii | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, PROTOPORPHYRIN IX CONTAINING FE, sterol 14a-demethylase | | Authors: | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | | Deposit date: | 2022-05-03 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification of Potent and Selective Inhibitors of Acanthamoeba: Structural Insights into Sterol 14-Demethylase as a Key Drug Target
J.Med.Chem., 2024
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7K4P
 | | Crystal structure of Kemp Eliminase HG3 | | Descriptor: | Endo-1,4-beta-xylanase | | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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7K4S
 | | Crystal structure of Kemp Eliminase HG3.7 | | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION | | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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5JK8
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7K2U
 | | DHODH IN COMPLEX WITH LIGAND 13 | | Descriptor: | 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2020-09-09 | | Release date: | 2020-10-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A carboxylic acid isostere screen of the DHODH inhibitor Brequinar.
Bioorg.Med.Chem.Lett., 30, 2020
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7JRP
 | | Plant Mitochondrial complex SC III2+IV from Vigna radiata | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Alpha-MPP, ... | | 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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5M3W
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose and alpha-1,2-mannobiose | | Descriptor: | 1,2-ETHANEDIOL, 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: | 2016-10-17 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.04 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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7UM9
 | | Human ALDH1A1 with bound compound CM38 | | Descriptor: | (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Hurley, T.D. | | Deposit date: | 2022-04-06 | | Release date: | 2023-04-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Novel ALDH1A1 Inhibitor Blocks Platinum-Induced Senescence and Stemness in Ovarian Cancer.
Cancers (Basel), 14, 2022
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8UGT
 | | E. eligens beta-glucuronidase bound to UNC10206581-G | | Descriptor: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(methylamino)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline, Beta-glucuronidase, GLYCEROL, ... | | Authors: | Simpson, J.B, Redinbo, M.R. | | Deposit date: | 2023-10-06 | | Release date: | 2024-07-24 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Advanced piperazine-containing inhibitors target microbial beta-glucuronidases linked to gut toxicity.
Rsc Chem Biol, 5, 2024
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5LNX
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4HAL
 | | Multicopper Oxidase CueO mutant E506I | | Descriptor: | ACETATE ION, Blue copper oxidase CueO, COPPER (II) ION, ... | | Authors: | Komori, H, Kataoka, K, Sakurai, T, Higuchi, Y. | | Deposit date: | 2012-09-26 | | Release date: | 2013-10-30 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Multicopper Oxidase CueO mutant E506I
TO BE PUBLISHED
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5LIO
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7K4R
 | | Crystal structure of Kemp Eliminase HG3 K50Q | | Descriptor: | Endo-1,4-beta-xylanase | | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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7K4T
 | | Crystal structure of Kemp Eliminase HG3.17 | | Descriptor: | Endo-1,4-beta-xylanase | | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.999 Å) | | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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6AQ6
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7UZM
 | | Glutamate dehydrogenase 1 from human liver | | Descriptor: | Glutamate dehydrogenase 1, mitochondrial | | Authors: | Zhang, Z. | | Deposit date: | 2022-05-09 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | High-resolution structural-omics of human liver enzymes.
Cell Rep, 42, 2023
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7KBU
 | | Structure of Hevin FS-EC | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Machius, M, Fan, S, Rudenko, G. | | Deposit date: | 2020-10-03 | | Release date: | 2021-02-10 | | Last modified: | 2021-07-14 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Interplay between hevin, SPARC, and MDGAs: Modulators of neurexin-neuroligin transsynaptic bridges.
Structure, 29, 2021
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7UWH
 | | CryoEM Structure of E. coli Transcription-Coupled Ribonucleotide Excision Repair (TC-RER) complex bound to ribonucleotide substrate | | Descriptor: | DNA (59-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Hao, Z.T, Grower, M, Bharati, B, Proshkin, S, Epshtein, V, Svetlov, V, Nudler, E, Shamovsky, I. | | Deposit date: | 2022-05-03 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | RNA polymerase drives ribonucleotide excision DNA repair in E. coli.
Cell, 186, 2023
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7UWE
 | | CryoEM Structure of E. coli Transcription-Coupled Ribonucleotide Excision Repair (TC-RER) complex | | Descriptor: | DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Hao, Z.T, Grower, M, Bharati, B, Proshkin, S, Epshtein, V, Svetlov, V, Nudler, E, Shamovsky, I. | | Deposit date: | 2022-05-03 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | RNA polymerase drives ribonucleotide excision DNA repair in E. coli.
Cell, 186, 2023
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8UZN
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8USK
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8USE
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