7F1D
 
 | | Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Descriptor: | Beta-secretase 1, IODIDE ION, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Authors: | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2021-06-09 | | Release date: | 2022-02-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
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6T4N
 | | Human Carbonic anhydrase II bound by 2,4,6-trimethylbenzenesulfonamide | | Descriptor: | 2,4,6-trimethylbenzenesulfonamide, 2-piperazin-1-ylethanol, BICINE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-10-14 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
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7F1G
 | | BACE2 xaperone complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Descriptor: | Beta-secretase 2, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide, XAPERONE | | Authors: | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2021-06-09 | | Release date: | 2022-02-23 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
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6TSB
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6T5C
 | | Human Carbonic anhydrase II bound by anthracene-9-sulfonamide | | Descriptor: | BICINE, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-10-15 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
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6TBY
 | | Phycocyanobilin-adducted PAS-GAF bidomain of Sorghum bicolor phyB | | Descriptor: | BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Nagano, S, Guan, K, Shenkutie, S.M, Hughes, J.E. | | Deposit date: | 2019-11-04 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into photoactivation and signalling in plant phytochromes.
Nat.Plants, 6, 2020
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6T2T
 | | Crystal structure of Drosophila melanogaster glutathione S-transferase epsilon 14 in complex with glutathione and 2-methyl-2,4-pentanediol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLUTATHIONE, Glutathione S-transferase E14 | | Authors: | Skerlova, J, Lindstrom, H, Sjodin, B, Gonis, E, Neiers, F, Mannervik, B, Stenmark, P. | | Deposit date: | 2019-10-09 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure and steroid isomerase activity of Drosophila glutathione transferase E14 essential for ecdysteroid biosynthesis.
Febs Lett., 594, 2020
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6T3A
 | | Difference-refined structure of rsEGFP2 10 ns following 400-nm laser irradiation of the off-state determined by SFX | | Descriptor: | Green fluorescent protein | | Authors: | Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. | | Deposit date: | 2019-10-10 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy.
Nat Commun, 11, 2020
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7F1U
 | | Crystal structure of Pseudomonas putida methionine gamma-lyase Q349S mutant with L-methionine intermediates | | Descriptor: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-(methylsulfanyl)but-2-enoic acid, L-methionine gamma-lyase, METHIONINE | | Authors: | Okawa, A, Handa, H, Yasuda, E, Murota, M, Kudo, D, Tamura, T, Shiba, T, Inagaki, K. | | Deposit date: | 2021-06-09 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Characterization and application of l-methionine gamma-lyase Q349S mutant enzyme with an enhanced activity toward l-homocysteine.
J.Biosci.Bioeng., 133, 2022
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7F1P
 | | Crystal structure of Pseudomonas putida methionine gamma-lyase Q349S mutant ligand-free form. | | Descriptor: | L-methionine gamma-lyase | | Authors: | Okawa, A, Handa, H, Yasuda, E, Murota, M, Kudo, D, Tamura, T, Shiba, T, Inagaki, K. | | Deposit date: | 2021-06-09 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Characterization and application of l-methionine gamma-lyase Q349S mutant enzyme with an enhanced activity toward l-homocysteine.
J.Biosci.Bioeng., 133, 2022
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7F1V
 | | Crystal structure of Pseudomonas putida methionine gamma-lyase Q349S mutant with L-homocysteine intermediates | | Descriptor: | (2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid, 2-AMINO-4-MERCAPTO-BUTYRIC ACID, L-methionine gamma-lyase | | Authors: | Okawa, A, Handa, H, Yasuda, E, Murota, M, Kudo, D, Tamura, T, Shiba, T, Inagaki, K. | | Deposit date: | 2021-06-09 | | Release date: | 2022-04-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Characterization and application of l-methionine gamma-lyase Q349S mutant enzyme with an enhanced activity toward l-homocysteine.
J.Biosci.Bioeng., 133, 2022
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8A3F
 | | Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii from isotropic tetragonal data at 3.15 A | | Descriptor: | PYRROLE-2-CARBOXYLATE, Proline racemase A (AsProR) | | Authors: | Najmudin, S, Pan, X.-S, McAuley, K.E, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2022-06-08 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural and Functional analysis of the Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii
To Be Published
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6TC5
 | | Phytochromobilin-adducted PAS-GAF bidomain of Sorghum bicolor phyB | | Descriptor: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, BETA-MERCAPTOETHANOL, Phytochrome | | Authors: | Nagano, S, Guan, K, Shenkutie, S.M, Hughes, J.E. | | Deposit date: | 2019-11-05 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insights into photoactivation and signalling in plant phytochromes.
Nat.Plants, 6, 2020
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6TC9
 | | Crystal structure of MutM from Neisseria meningitidis | | Descriptor: | DNA, DNA containing abasic site analogue, Formamidopyrimidine-DNA glycosylase, ... | | Authors: | Silhan, J, Landova, B, Boura, E. | | Deposit date: | 2019-11-05 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.175 Å) | | Cite: | Conformational changes of DNA repair glycosylase MutM triggered by DNA binding.
Febs Lett., 594, 2020
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7F5I
 | | X-ray structure of Clostridium perfringens-specific amidase endolysin | | Descriptor: | GLUTAMIC ACID, SODIUM ION, ZINC ION, ... | | Authors: | Kamitori, S, Tamai, E. | | Deposit date: | 2021-06-22 | | Release date: | 2022-05-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and biochemical characterization of the Clostridium perfringens-specific Zn 2+ -dependent amidase endolysin, Psa, catalytic domain.
Biochem.Biophys.Res.Commun., 576, 2021
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8ARL
 | | Plasmodium vivax PVP01_0000100 TRAg domain | | Descriptor: | Tryptophan-rich antigen | | Authors: | Kundu, P, Deane, J.E, Rayner, J.C. | | Deposit date: | 2022-08-17 | | Release date: | 2023-07-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The structure of a Plasmodium vivax Tryptophan Rich Antigen domain suggests a lipid binding function for a pan-Plasmodium multi-gene family.
Nat Commun, 14, 2023
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6TRS
 | | Crystal structure of TFIIH subunit p52 in complex with p8 | | Descriptor: | RNA polymerase II transcription factor B subunit 2, Uncharacterized protein | | Authors: | Koelmel, W, Kuper, J, Schoenwetter, E, Kisker, C. | | Deposit date: | 2019-12-19 | | Release date: | 2020-10-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | How to limit the speed of a motor: the intricate regulation of the XPB ATPase and translocase in TFIIH.
Nucleic Acids Res., 48, 2020
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6TT6
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6LDN
 | | Crystal structure of T.onnurineus Csm5 | | Descriptor: | Csm5 | | Authors: | Park, K.H, Woo, E.J. | | Deposit date: | 2019-11-22 | | Release date: | 2020-11-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of Csm5 subunit of the Type III-A Csm complex at 2.6 Angstroms resolution
To Be Published
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6T5Q
 | | Human Carbonic anhydrase XII bound by 3,5-diphenylbenzenesulfonamide | | Descriptor: | 1,2-ETHANEDIOL, 3,5-diphenylbenzenesulfonamide, Carbonic anhydrase 12, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-10-16 | | Release date: | 2020-10-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
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6T6C
 | | Complex with chitin oligomer of C-type lysozyme from the upper gastrointestinal tract of Opisthocomus hoatzin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C | | Authors: | Taylor, E.J, Skjot, M, Skov, L.K, Klausen, M, De Maria, L, Gippert, G.P, Turkenburg, J.P, Davies, G.J, Wilson, K.S. | | Deposit date: | 2019-10-18 | | Release date: | 2019-11-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The C-Type Lysozyme from the upper Gastrointestinal Tract of Opisthocomus hoatzin, the Stinkbird.
Int J Mol Sci, 20, 2019
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6TC7
 | | PAS-GAF bidomain of Glycine max phytochromeA | | Descriptor: | DI(HYDROXYETHYL)ETHER, PHYCOCYANOBILIN, Phytochrome | | Authors: | Nagano, S, Guan, K, Shenkutie, S.M, Hughes, J.E. | | Deposit date: | 2019-11-05 | | Release date: | 2020-05-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural insights into photoactivation and signalling in plant phytochromes.
Nat.Plants, 6, 2020
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8A3A
 | | MTH1 in complex with TH013074 | | Descriptor: | 4-(4-methylphenyl)-1~{H}-quinazolin-2-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Liu, H, Scaletti, E, Stenmark, P. | | Deposit date: | 2022-06-07 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | MTH1 in complex with TH013074
To Be Published
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6LBA
 | | Cryo-EM structure of the AtMLKL2 tetramer | | Descriptor: | Protein kinase family protein | | Authors: | Lisa, M, Huang, M, Zhang, X, Ryohei, T.N, Leila, B.K, Isabel, M.L.S, Florence, J, Viera, K, Dmitry, L, Jane, E.P, James, M.M, Kay, H, Paul, S.L, Chai, J, Takaki, M. | | Deposit date: | 2019-11-13 | | Release date: | 2020-11-18 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM structure of the AtMLKL3 tetramer
To Be Published
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7F4C
 | | The crystal structure of the immature holo-enzyme of homoserine dehydrogenase complexed with NADP and 1,4-butandiol from the hyperthermophilic archaeon Sulfurisphaera tokodaii. | | Descriptor: | 1,4-BUTANEDIOL, Homoserine dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Ogata, K, Kaneko, R, Kubota, T, Watanabe, K, Kurihara, E, Oshima, T, Yoshimune, K, Goto, M. | | Deposit date: | 2021-06-18 | | Release date: | 2022-06-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conformational changes in the catalytic region are responsible for heat-induced activation of hyperthermophilic homoserine dehydrogenase.
Commun Biol, 5, 2022
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