Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

8QZD
DownloadVisualize
BU of 8qzd by Molmil
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
8QWG
DownloadVisualize
BU of 8qwg by Molmil
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
8QWI
DownloadVisualize
BU of 8qwi by Molmil
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
8QVF
DownloadVisualize
BU of 8qvf by Molmil
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
8QVH
DownloadVisualize
BU of 8qvh by Molmil
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
8QVL
DownloadVisualize
BU of 8qvl by Molmil
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
8QVG
DownloadVisualize
BU of 8qvg by Molmil
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
8QVK
DownloadVisualize
BU of 8qvk by Molmil
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
8QVM
DownloadVisualize
BU of 8qvm by Molmil
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
8QN0
DownloadVisualize
BU of 8qn0 by Molmil
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
8QMZ
DownloadVisualize
BU of 8qmz by Molmil
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
8TFW
DownloadVisualize
BU of 8tfw by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound N34 bound
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, [5-(trifluoromethyl)thiophen-2-yl]boronic acid
Authors:Fellner, M.
Deposit date:2023-07-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound N34 bound
To Be Published
8JY1
DownloadVisualize
BU of 8jy1 by Molmil
Structure of Mangifera Indica Epoxide hydrolase 2
Descriptor: Epoxide hydrolase-2, TETRAETHYLENE GLYCOL
Authors:Bhoite, A.S, Gupta, V.S, Kulkarni, K.A.
Deposit date:2023-07-02
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Mangifera Indica Epoxide hydrolase 2
To Be Published
8T87
DownloadVisualize
BU of 8t87 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, unbound dimer crystal form 1
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION
Authors:Fellner, M.
Deposit date:2023-06-22
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections.
J.Am.Chem.Soc., 146, 2024
8T88
DownloadVisualize
BU of 8t88 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone JJ004 bound
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
Authors:Fellner, M.
Deposit date:2023-06-22
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections.
J.Am.Chem.Soc., 146, 2024
8PI1
DownloadVisualize
BU of 8pi1 by Molmil
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
8JLV
DownloadVisualize
BU of 8jlv by Molmil
Beneficial flip of substrate orientation enable determine substrate specificity for zearalenone lactone hydrolase
Descriptor: AB hydrolase-1 domain-containing protein
Authors:Xiang, L, Wang, M, Zhang, G, Zhou, J.
Deposit date:2023-06-02
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.998636 Å)
Cite:Enhancing the activity of zearalenone lactone hydrolase toward the more toxic alpha-zearalanol via a single-point mutation.
Appl.Environ.Microbiol., 90, 2024
8SW8
DownloadVisualize
BU of 8sw8 by Molmil
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
8OXN
DownloadVisualize
BU of 8oxn by Molmil
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
8OXT
DownloadVisualize
BU of 8oxt by Molmil
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
8SNI
DownloadVisualize
BU of 8sni by Molmil
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
8ORO
DownloadVisualize
BU of 8oro by Molmil
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
8SDC
DownloadVisualize
BU of 8sdc by Molmil
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
8SDD
DownloadVisualize
BU of 8sdd by Molmil
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
8OOH
DownloadVisualize
BU of 8ooh by Molmil
Cryo-EM map of the focused refinement of the subfamily III haloalkane dehalogenase from Haloferax mediterranei dimer forming hexameric assembly.
Descriptor: Alpha/beta fold hydrolase
Authors:Polak, M, Novacek, J, Chmelova, K, Marek, M.
Deposit date:2023-04-05
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Multimeric structure of a subfamily III haloalkane dehalogenase-like enzyme solved by combination of cryo-EM and x-ray crystallography.
Protein Sci., 32, 2023

225158

PDB entries from 2024-09-18

PDB statisticsPDBj update infoContact PDBjnumon