8QZD
 
 | | Soluble epoxide hydrolase in complex with Epoxykinin | | 分子名称: | 1,2-ETHANEDIOL, 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide, BROMIDE ION, ... | | 著者 | Kumar, A, Ehrler, J.M.H, Ziegler, S, Doetsch, L, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-10-27 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator.
J.Med.Chem., 67, 2024
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8QVI
 | | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | | 分子名称: | Bifunctional epoxide hydrolase 2, DI(HYDROXYETHYL)ETHER | | 著者 | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | | 登録日 | 2023-10-18 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Exploring serial crystallography for drug discovery
To Be Published
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8QMZ
 | | Soluble epoxide hydrolase in complex with RK4 | | 分子名称: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | | 著者 | Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-09-25 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Photosensitization enables Pauson-Khand-type reactions with nitrenes.
Science, 383, 2024
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8QN0
 | | Soluble epoxide hydrolase in complex with RK3 | | 分子名称: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | | 著者 | Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-09-25 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Photosensitization enables Pauson-Khand-type reactions with nitrenes.
Science, 383, 2024
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8T88
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8T87
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8PI1
 | | Bicyclic INCYPRO Pseudomonas fluorescens esterase | | 分子名称: | Arylesterase, GLYCEROL, N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide | | 著者 | Kiehstaller, S, Pearce, N.M, Grossmann, T.N, Hennig, S. | | 登録日 | 2023-06-20 | | 公開日 | 2023-11-01 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Covalent bicyclization of protein complexes yields durable quaternary structures.
Chem, 10, 2024
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8JLV
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8OXN
 | | CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) S101A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXYC CONDITIONS | | 分子名称: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ... | | 著者 | Bui, S, Steiner, R.A. | | 登録日 | 2023-05-02 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
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8OXT
 | | CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) H251A VARIANT COMPLEXED WITH N-ACETYLANTHRANILATE AS RESULT OF IN CRYSTALLO TURNOVER OF ITS NATURAL SUBSTRATE 1-H-3-HYDROXY-4- OXOQUINALDINE UNDER HYPEROXIC CONDITIONS | | 分子名称: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-(ACETYLAMINO)BENZOIC ACID, GLYCEROL, ... | | 著者 | Bui, S, Steiner, R.A. | | 登録日 | 2023-05-02 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | | 主引用文献 | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
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8SNI
 | | Hydroxynitrile Lyase from Hevea brasiliensis with Forty Mutations | | 分子名称: | (S)-hydroxynitrile lyase, 1,2-ETHANEDIOL, BENZOIC ACID, ... | | 著者 | Walsh, M.E, Greenberg, L.R, Kazlauskas, R.J, Pierce, C.T, Aihara, H, Evans, R.L, Shi, K. | | 登録日 | 2023-04-27 | | 公開日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | To be published
To Be Published
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8ORO
 | | CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) S101A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER HYPEROXYC CONDITIONS | | 分子名称: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, D(-)-TARTARIC ACID, ... | | 著者 | Bui, S, Steiner, R.A. | | 登録日 | 2023-04-15 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
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8SDC
 | | Crystal structure of fluoroacetate dehalogenase Daro3835 apoenzyme | | 分子名称: | Alpha/beta hydrolase fold protein, CHLORIDE ION | | 著者 | Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A. | | 登録日 | 2023-04-06 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases.
Febs J., 290, 2023
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8SDD
 | | Crystal structure of fluoroacetate dehalogenase Daro3835 H274N mutant with D107-glycolyl intermediate | | 分子名称: | Alpha/beta hydrolase fold protein | | 著者 | Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A. | | 登録日 | 2023-04-06 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases.
Febs J., 290, 2023
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8OOH
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8OE2
 | | Structure of hyperstable haloalkane dehalogenase variant DhaA223 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Marek, M. | | 登録日 | 2023-03-10 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Advancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning.
Acs Catalysis, 13, 2023
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8IK2
 | | RhlA exhibits dual thioesterase and acyltransferase activities during rhamnolipid biosynthesis | | 分子名称: | (3~{S})-3-oxidanyldecanoic acid, 3-(3-hydroxydecanoyloxy)decanoate synthase | | 著者 | Tang, T, Fu, L.H, Xie, W.H, Luo, Y.Z, Zhang, Y.T, Si, T. | | 登録日 | 2023-02-28 | | 公開日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.151 Å) | | 主引用文献 | RhlA Exhibits Dual Thioesterase and Acyltransferase Activities during Rhamnolipid Biosynthesis
Acs Catalysis, 13, 2023
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8CKP
 | | X-ray structure of the crystallization-prone form of subfamily III haloalkane dehalogenase DhmeA from Haloferax mediterranei | | 分子名称: | Alpha/beta fold hydrolase, CHLORIDE ION | | 著者 | Marek, M, Chmelova, K, Schenkmayerova, A, Croll, T, Read, R.J, Diederichs, K. | | 登録日 | 2023-02-16 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | | 主引用文献 | Multimeric structure of a subfamily III haloalkane dehalogenase-like enzyme solved by combination of cryo-EM and x-ray crystallography.
Protein Sci., 32, 2023
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8G5T
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8G5U
 | | Crystal structure of TnmK2 complexed with TNM B | | 分子名称: | TnmK2, methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate | | 著者 | Liu, Y.-C, Gui, C, Shen, B. | | 登録日 | 2023-02-14 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.804 Å) | | 主引用文献 | Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis.
Nat.Chem.Biol., 20, 2024
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8G49
 | | FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone compound 3 bound | | 分子名称: | Fluorophosphonate-binding serine hydrolase E, methyl 2-formyl-2-[3-methyl-4-(3-phenoxybenzamido)phenyl]hydrazine-1-carboxylate | | 著者 | Fellner, M, Bakker, A.T, Martin, N.I, Stelt, M. | | 登録日 | 2023-02-08 | | 公開日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone compound 3 bound
To be published
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8G48
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8HM5
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8HGU
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8HGW
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