2G4L
 
 | | Anomalous substructure of hydroxynitrile lyase | | Descriptor: | (S)-acetone-cyanohydrin lyase, CHLORIDE ION, SULFATE ION | | Authors: | Mueller-Dieckmann, C, Weiss, M.S. | | Deposit date: | 2006-02-22 | | Release date: | 2007-02-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
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2HAD
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8OOH
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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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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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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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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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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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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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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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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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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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8SBQ
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8T87
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8T88
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8A97
 | | ROOM TEMPERATURE CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) UNDER XENON PRESSURE (30 bar) | | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, D(-)-TARTARIC ACID, XENON | | Authors: | Bui, S, Prange, T, Steiner, R.A. | | Deposit date: | 2022-06-27 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.897 Å) | | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
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7ZM4
 | | Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclipostin-like inhibitor CyC31 | | Descriptor: | 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, undecyl dihydrogen phosphate | | Authors: | Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G. | | Deposit date: | 2022-04-19 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
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8B6R
 | | X-ray structure of the haloalkane dehalogenase HaloTag7 labeled with a chloroalkane Cyanine3 fluorophore substrate | | Descriptor: | CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ... | | Authors: | Tarnawski, M, Hellweg, L, Hiblot, J. | | Deposit date: | 2022-09-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A general method for the development of multicolor biosensors with large dynamic ranges.
Nat.Chem.Biol., 19, 2023
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8AGS
 | | Cyclohexane epoxide soak of epoxide hydrolase from metagenomic source ch65 resulting in halogenated compound in the active site | | Descriptor: | 1,2-ETHANEDIOL, 2-CHLOROPHENOL, Alpha/beta epoxide hydrolase, ... | | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | | Deposit date: | 2022-07-20 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
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8AGN
 | | Cyclohexane epoxide low pH soak of epoxide hydrolase from metagenomic source ch65 | | Descriptor: | (1R,6S)-7-oxabicyclo[4.1.0]heptane, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ... | | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | | Deposit date: | 2022-07-20 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.957 Å) | | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
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8AGM
 | | Limonene epoxide low pH soak of epoxide hydrolase from metagenomic source ch65 | | Descriptor: | 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, CHLORIDE ION, ... | | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | | Deposit date: | 2022-07-20 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.966 Å) | | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
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8AGP
 | | Halogenated product of limonene epoxide turnover by epoxide hydrolase from metagenomic source ch65 | | Descriptor: | (1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ... | | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | | Deposit date: | 2022-07-20 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
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8B5K
 | | Structure of haloalkane dehalogenase DmmarA from Mycobacterium marinum at pH 6.5 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ... | | Authors: | Snajdarova, K, Marek, M. | | Deposit date: | 2022-09-23 | | Release date: | 2023-08-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | Atypical homodimerization revealed by the structure of the (S)-enantioselective haloalkane dehalogenase DmmarA from Mycobacterium marinum.
Acta Crystallogr D Struct Biol, 79, 2023
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8B5O
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