8AI7
 
 | | Structure of carbamoylated human butyrylcholinesterase upon reaction with 3-(((2-cycloheptylethyl)(methyl)amino)methyl)-1H-indol-7-yl N,N-dimethylcarbamate | | Descriptor: | 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, 3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol, ... | | Authors: | Brazzolotto, X, Meden, A, Knez, D, Gobec, S, Nachon, F. | | Deposit date: | 2022-07-25 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Pseudo-irreversible butyrylcholinesterase inhibitors: Structure-activity relationships, computational and crystallographic study of the N-dialkyl O-arylcarbamate warhead.
Eur.J.Med.Chem., 247, 2023
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6AYC
 | | Naegleria fowleri CYP51-itraconazole complex | | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, PROTOPORPHYRIN IX CONTAINING FE, Protein CYP51 | | Authors: | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | | Deposit date: | 2017-09-08 | | Release date: | 2017-11-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
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1H43
 | | R210E N-TERMINAL LOBE HUMAN LACTOFERRIN | | Descriptor: | CARBONATE ION, FE (III) ION, LACTOFERRIN | | Authors: | Peterson, N.A, Arcus, V.L, Anderson, B.F, Jameson, G.B, Tweedie, J.W, Baker, E.N. | | Deposit date: | 2002-10-02 | | Release date: | 2002-11-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | "Dilysine Trigger" in Transferrins Probed by Mutagenesis of Lactoferrin: Crystal Structures of the R210G, R210E, and R210L Mutants of Human Lactoferrin
Biochemistry, 41, 2002
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5LYM
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3ADC
 | | Crystal structure of O-phosphoseryl-tRNA kinase complexed with selenocysteine tRNA and AMPPNP (crystal type 2) | | Descriptor: | L-seryl-tRNA(Sec) kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Itoh, Y, Chiba, S, Sekine, S, Yokoyama, S. | | Deposit date: | 2010-01-18 | | Release date: | 2010-07-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Basis for the Major Role of O-Phosphoseryl-tRNA Kinase in the UGA-Specific Encoding of Selenocysteine
Mol.Cell, 39, 2010
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6L0H
 | | Crystal structure of dihydroorotase in complex with malate at pH7 from Saccharomyces cerevisiae | | Descriptor: | (2S)-2-hydroxybutanedioic acid, Dihydroorotase, ZINC ION | | Authors: | Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J. | | Deposit date: | 2019-09-26 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.054 Å) | | Cite: | Structural basis for the interaction modes of dihydroorotase with the anticancer drugs 5-fluorouracil and 5-aminouracil.
Biochem.Biophys.Res.Commun., 551, 2021
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8JC3
 | | Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-N-C4-Phe and hydroxylamine | | Descriptor: | 4-(pyridin-4-ylamino)butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | | Deposit date: | 2023-05-10 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids.
Mol Catal, 550, 2023
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5M6Q
 | | Crystal Structure of Kutzneria albida transglutaminase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Steffen, W, Benz, J, Rudolph, M.G. | | Deposit date: | 2016-10-25 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of a microbial transglutaminase enabling highly site-specific labeling of proteins.
J. Biol. Chem., 292, 2017
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8CT0
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6LAV
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5M6G
 | | Crystal structure Glucan 1,4-beta-glucosidase from Saccharopolyspora erythraea | | Descriptor: | Beta-glucosidase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A. | | Deposit date: | 2016-10-25 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.829 Å) | | Cite: | Crystal structure Glucan 1,4-beta-glucosidase from Saccharopolyspora erythraea
To Be Published
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6AU1
 | | Structure of the PgaB (BpsB) glycoside hydrolase domain from Bordetella bronchiseptica | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Putative hemin storage protein, ... | | Authors: | Little, D.J, Bamford, N.C, Howell, P.L. | | Deposit date: | 2017-08-30 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | PgaB orthologues contain a glycoside hydrolase domain that cleaves deacetylated poly-beta (1,6)-N-acetylglucosamine and can disrupt bacterial biofilms.
PLoS Pathog., 14, 2018
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8AMO
 | | Crystal structure of M. tuberculosis CYP143 | | Descriptor: | CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Bukhdruker, S, Varaksa, T, Grudo, A, Marin, E, Kapranov, I, Shevtsov, M, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | Deposit date: | 2022-08-03 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
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1HBP
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8AMQ
 | | Crystal structure of the complex CYP143-FdxE from M. tuberculosis | | Descriptor: | FE3-S4 CLUSTER, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Bukhdruker, S, Varaksa, T, Smolskaya, S, Marin, E, Kapranov, I, Kovalev, K, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | Deposit date: | 2022-08-03 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Front Mol Biosci, 9, 2022
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8IRG
 | | XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 30-microsecond delay | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Li, H, Suga, M, Shen, J.R. | | Deposit date: | 2023-03-17 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
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8D8P
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8B0Q
 | | Deinococcus radiodurans UvrC C-terminal half | | Descriptor: | UvrABC system protein C | | Authors: | Timmins, J, Stelter, M. | | Deposit date: | 2022-09-08 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and functional insights into the activation of the dual incision activity of UvrC, a key player in bacterial NER.
Nucleic Acids Res., 51, 2023
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6LDD
 | | Structure of Bifidobacterium dentium beta-glucuronidase complexed with C6-propyl uronic isofagomine | | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid, LacZ1 Beta-galactosidase | | Authors: | Lin, H.-Y, Hsieh, T.-J, Lin, C.-H. | | Deposit date: | 2019-11-20 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.205 Å) | | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity.
Commun Biol, 4, 2021
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8DHL
 | | Tannerella forsythia beta-glucuronidase (L2) | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 2, ... | | Authors: | Lietzan, A.D, Redinbo, M.R. | | Deposit date: | 2022-06-27 | | Release date: | 2023-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
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8IR6
 | | XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 20-nanosecond delay | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Li, H, Suga, M, Shen, J.R. | | Deposit date: | 2023-03-17 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
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5M7R
 | | Structure of human O-GlcNAc hydrolase | | Descriptor: | Protein O-GlcNAcase | | Authors: | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | | Deposit date: | 2016-10-28 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
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8IRB
 | | XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 5-millisecond delay | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Li, H, Suga, M, Shen, J.R. | | Deposit date: | 2023-03-17 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
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8CZZ
 | | Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with Temsavir, 8ANC195, and 10-1074 | | Descriptor: | 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chen, Y, Pozharski, E, Tolbert, W, Pazgier, M. | | Deposit date: | 2022-05-25 | | Release date: | 2023-05-31 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
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6LGM
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