8QZD
| Soluble epoxide hydrolase in complex with Epoxykinin | Descriptor: | 1,2-ETHANEDIOL, 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide, BROMIDE ION, ... | Authors: | Kumar, A, Ehrler, J.M.H, Ziegler, S, Doetsch, L, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-10-27 | Release date: | 2024-02-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator. J.Med.Chem., 67, 2024
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8QWG
| Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | Bifunctional epoxide hydrolase 2, TRIETHYLENE GLYCOL | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-19 | Release date: | 2024-08-14 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 11, 2024
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8QWI
| Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL, Bifunctional epoxide hydrolase 2, SULFATE ION | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-19 | Release date: | 2024-08-14 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 11, 2024
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8QVF
| Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea, Bifunctional epoxide hydrolase 2 | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-08-14 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 11, 2024
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8QVH
| Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, Bifunctional epoxide hydrolase 2 | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-08-14 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 11, 2024
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8QVL
| Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL, Bifunctional epoxide hydrolase 2, DIMETHYL SULFOXIDE, ... | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-08-14 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 11, 2024
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8QVG
| Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | Bifunctional epoxide hydrolase 2, N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-08-14 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 11, 2024
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8QVK
| Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | Bifunctional epoxide hydrolase 2, N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-08-14 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 11, 2024
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8QVM
| Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | Bifunctional epoxide hydrolase 2, TRIETHYLENE GLYCOL | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-08-14 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exploring serial crystallography for drug discovery. Iucrj, 11, 2024
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8QN0
| Soluble epoxide hydrolase in complex with RK3 | Descriptor: | (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 | Authors: | 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) | Deposit date: | 2023-09-25 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Photosensitization enables Pauson-Khand-type reactions with nitrenes. Science, 383, 2024
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8QMZ
| Soluble epoxide hydrolase in complex with RK4 | Descriptor: | (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 | Authors: | 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) | Deposit date: | 2023-09-25 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Photosensitization enables Pauson-Khand-type reactions with nitrenes. Science, 383, 2024
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8TFW
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8JY1
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8T87
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8T88
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8PI1
| Bicyclic INCYPRO Pseudomonas fluorescens esterase | Descriptor: | Arylesterase, GLYCEROL, N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide | Authors: | Kiehstaller, S, Pearce, N.M, Grossmann, T.N, Hennig, S. | Deposit date: | 2023-06-20 | Release date: | 2023-11-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Covalent bicyclization of protein complexes yields durable quaternary structures. Chem, 10, 2024
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8JLV
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8SW8
| Crystal Structure of HaloTag7 bound to JF669-HaloTag ligand | Descriptor: | 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Farrants, H, Schreiter, E.R. | Deposit date: | 2023-05-17 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A modular chemigenetic calcium indicator for multiplexed in vivo functional imaging To Be Published
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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 | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2023-05-02 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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 | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-(ACETYLAMINO)BENZOIC ACID, GLYCEROL, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2023-05-02 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | 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 | Descriptor: | (S)-hydroxynitrile lyase, 1,2-ETHANEDIOL, BENZOIC ACID, ... | Authors: | Walsh, M.E, Greenberg, L.R, Kazlauskas, R.J, Pierce, C.T, Aihara, H, Evans, R.L, Shi, K. | Deposit date: | 2023-04-27 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | 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 | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, D(-)-TARTARIC ACID, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2023-04-15 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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 | Descriptor: | Alpha/beta hydrolase fold protein, CHLORIDE ION | Authors: | Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A. | Deposit date: | 2023-04-06 | Release date: | 2023-09-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | 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 | Descriptor: | Alpha/beta hydrolase fold protein | Authors: | Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A. | Deposit date: | 2023-04-06 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases. Febs J., 290, 2023
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8OOH
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