6RJB
 
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6XP1
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5O23
 | | Crystal structure of WNK3 kinase domain in a monophosphorylated apo state | | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Serine/threonine-protein kinase WNK3 | | 著者 | Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Sethi, R, Newman, J.A, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | 登録日 | 2017-05-19 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Crystal structure of WNK3 kinase domain in a monophosphorylated apo state
To Be Published
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5YC0
 | | Crystal structure of LP-46/N44 | | 分子名称: | Envelope glycoprotein, LP-46 | | 著者 | Zhang, X, Wang, X, He, Y. | | 登録日 | 2017-09-05 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Exceptional potency and structural basis of a T1249-derived lipopeptide fusion inhibitor against HIV-1, HIV-2, and simian immunodeficiency virus
J. Biol. Chem., 293, 2018
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9MG5
 | | Structure of Saccharomyces cerevisiae mRNA cap (guanine-N7) methyltransferase, Abd1, in complex with sinefungin and GTP | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Nilson, D.J, Fedorov, E, Ghosh, A. | | 登録日 | 2024-12-10 | | 公開日 | 2025-07-09 | | 最終更新日 | 2025-08-06 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structural basis for sensitivity and acquired resistance of fungal cap guanine-N7 methyltransferases to the antifungal antibiotic sinefungin.
Nucleic Acids Res., 53, 2025
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6XEQ
 | | Crystal structure of the tetrameric 6-phosphogluconate dehydrogenase from Gluconobacter oxidans | | 分子名称: | 6-phosphogluconate dehydrogenase, SULFATE ION | | 著者 | Maturana, P, Roversi, P, Castro-Fernandez, V, Herrera-Morande, A, Garratt, R.C, Cabrera, R. | | 登録日 | 2020-06-13 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Crystal structure of the 6-phosphogluconate dehydrogenase from Gluconobacter oxydans reveals tetrameric 6PGDHs as the crucial intermediate in the evolution of structure and cofactor preference in the 6PGDH family [version 1; peer review: 1 approved, 1 approved with reservations]
Wellcome Open Res, 6, 2021
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8OWB
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8RKR
 | | Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with a monophosphate-tweezer | | 分子名称: | (1R,5S,9S,16R,20R,24S,28S,35R)-22-(Dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaen-3-ol, BENZOIC ACID, Delta-1-pyrroline-5-carboxylate dehydrogenase, ... | | 著者 | Porfetye, A.T, Vetter, I.R. | | 登録日 | 2023-12-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | How Do Molecular Tweezers Bind to Proteins? Lessons from X-ray Crystallography.
Molecules, 29, 2024
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6GWF
 | | Alpha-galactosidase mutant D387A from Thermotoga maritima in complex with intact cyclohexene-based carbasugar mimic of galactose with 2,4-dinitro leaving group | | 分子名称: | (1~{S},2~{S},5~{S},6~{R})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol, Alpha-galactosidase, MAGNESIUM ION, ... | | 著者 | Gloster, T.M, Oehler, V. | | 登録日 | 2018-06-24 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
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8AUJ
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6VP4
 | | Ethylene forming enzyme (EFE) in complex with Fe(II), L-arginine, and 2OG | | 分子名称: | 2-OXOGLUTARIC ACID, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ... | | 著者 | Davis, K.M, Copeland, R.A, Boal, A.K. | | 登録日 | 2020-02-01 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | An Iron(IV)-Oxo Intermediate Initiating l-Arginine Oxidation but Not Ethylene Production by the 2-Oxoglutarate-Dependent Oxygenase, Ethylene-Forming Enzyme.
J.Am.Chem.Soc., 143, 2021
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6ISQ
 | | structure of Lipase mutant with oxided Cys-His-Asp catalytic triad | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, ISOPROPYL ALCOHOL, ... | | 著者 | Cen, Y.X, Zhou, J.H, Wu, Q. | | 登録日 | 2018-11-18 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution.
Nat Commun, 10, 2019
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5INZ
 | | Racemic structure of baboon theta defensin-2 | | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Theta defensin-2, ... | | 著者 | Wang, C.K, King, G.J, Conibear, A.C, Ramos, M.C, Craik, D.J. | | 登録日 | 2016-03-08 | | 公開日 | 2016-04-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.447 Å) | | 主引用文献 | Mirror Images of Antimicrobial Peptides Provide Reflections on Their Functions and Amyloidogenic Properties.
J.Am.Chem.Soc., 138, 2016
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5O21
 | | Crystal structure of WNK3 kinase domain in a monophosphorylated state with chloride bound in the active site | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Serine/threonine-protein kinase WNK3 | | 著者 | Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Fairhead, M, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | 登録日 | 2017-05-19 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Crystal structure of WNK3 kinase domain in a monophosphorylated state with chloride bound in the active site
To Be Published
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5Y5G
 | | Structure of cytochrome P450nor in NO-bound state: damaged by high-dose (5.7 MGy) X-ray | | 分子名称: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | | 著者 | Tosha, T, Nomura, T, Nishida, T, Ueno, G, Murakami, H, Yamashita, K, Hirata, K, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M. | | 登録日 | 2017-08-09 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
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9B2G
 | | Crystal structure of short chain dehydrogenase reductase 9 (short chain dehydrogenase reductase 9C4) in complex with NADH | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Dehydrogenase/reductase SDR family member 9 | | 著者 | Pakhomova, S, Belyaeva, O.V, Boeglin, W.E, Kedishvili, N.Y, Brash, A.R, Newcomer, M.E, Popov, K.M. | | 登録日 | 2024-03-15 | | 公開日 | 2025-03-19 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The large substrate binding pocket of dehydrogenase reductase 9 underlies its ability to oxidize diverse pro-inflammatory and pro-resolving oxylipins.
To Be Published
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8VXD
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8PZY
 | | Intracellular leucine aminopeptidase of Pseudomonas aeruginosa PA14 - hexameric assembly with manganese bound | | 分子名称: | 1,2-ETHANEDIOL, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, AMMONIUM ION, ... | | 著者 | Simpson, M.C, Czekster, C.M, Harding, C.J. | | 登録日 | 2023-07-27 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Unveiling the Catalytic Mechanism of a Processive Metalloaminopeptidase.
Biochemistry, 62, 2023
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7NY6
 | | Crystal structure of the Capsaspora owczarzaki macroH2A macrodomain | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Histone macroH2A1.1 | | 著者 | Knobloch, G, Guberovic, I, Basquin, J, Buschbeck, M, Ladurner, A.G. | | 登録日 | 2021-03-21 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Evolution of a histone variant involved in compartmental regulation of NAD metabolism.
Nat.Struct.Mol.Biol., 28, 2021
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8C5E
 | | E. coli NfsB-T41Q/N71S/F124T mutant bound to nicotinic acid | | 分子名称: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, ... | | 著者 | White, S.A, Hyde, E.I, Day, M.A. | | 登録日 | 2023-01-06 | | 公開日 | 2023-04-19 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
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5Z66
 | | Structure of periplasmic trehalase from Diamondback moth gut bacteria complexed with validoxylamine | | 分子名称: | (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, GLYCEROL, Periplasmic trehalase, ... | | 著者 | Harne, S.R, Adhav, A.S, Joshi, R.S, Gayathri, P. | | 登録日 | 2018-01-22 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Mechanistic insights into enzymatic catalysis by trehalase from the insect gut endosymbiont Enterobacter cloacae.
Febs J., 286, 2019
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5O2B
 | | Crystal structure of WNK3 kinase domain in a diphosphorylated state and in a complex with the inhibitor PP-121 | | 分子名称: | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, SODIUM ION, Serine/threonine-protein kinase WNK3 | | 著者 | Pinkas, D.M, Bufton, J.C, Newman, J.A, Borkowska, O, Chalk, R, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | 登録日 | 2017-05-19 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.038 Å) | | 主引用文献 | Crystal structure of WNK3 kinase domain in a diphosphorylated state and in a complex with the inhibitor PP-121
To Be Published
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5O1V
 | | Crystal structure of WNK3 kinase domain in a monophosphorylated apo state (A-loop swapped) | | 分子名称: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase WNK3 | | 著者 | Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Fairhead, M, Kopec, J, Sethi, R, Dixon-Clarke, S.E, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | 登録日 | 2017-05-19 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.723 Å) | | 主引用文献 | Crystal structure of WNK3 kinase domain in a monophosphorylated apo state (A-loop swapped)
To Be Published
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5OAS
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6ZZR
 | | The Crystal Structure of human LDHA from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, L-lactate dehydrogenase A chain | | 著者 | Wang, F, Lin, D, Cheng, W, Bao, X, Zhu, B, Shang, H. | | 登録日 | 2020-08-05 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | The Crystal Structure of human LDHA from Biortus
To Be Published
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