1M33
 
 | | Crystal Structure of BioH at 1.7 A | | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXY-PROPANOIC ACID, BioH protein | | Authors: | Sanishvili, R, Savchenko, A, Skarina, T, Edwards, A, Joachimiak, A, Yakunin, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2002-06-26 | | Release date: | 2003-01-21 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Integrating structure, bioinformatics, and enzymology to discover function: BioH, a new carboxylesterase from Escherichia coli.
J.Biol.Chem., 278, 2003
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2RHT
 | | Crystal Structure of the S112A mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, in complex with 3-Cl HOPDA | | Descriptor: | (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION, ... | | Authors: | Bhowmik, S, Bolin, J.T. | | Deposit date: | 2007-10-09 | | Release date: | 2007-11-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Molecular Basis for Inhibition of BphD, a C-C Bond Hydrolase Involved in Polychlorinated Biphenyls Degradation: LARGE 3-SUBSTITUENTS PREVENT TAUTOMERIZATION.
J.Biol.Chem., 282, 2007
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1SCK
 | | K236L mutant of hydroxynitrile lyase from Hevea brasiliensis in complex with acetone | | Descriptor: | (S)-acetone-cyanohydrin lyase, ACETONE, SULFATE ION | | Authors: | Gruber, K, Gartler, G, Krammer, B, Schwab, H, Kratky, C. | | Deposit date: | 2004-02-12 | | Release date: | 2004-06-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Reaction mechanism of hydroxynitrile lyases of the alpha/beta-hydrolase superfamily: the three-dimensional structure of the transient enzyme-substrate complex certifies the crucial role of LYS236
J.Biol.Chem., 279, 2004
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3R3Z
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/Glycolate | | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID, NICKEL (II) ION | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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7ZIY
 | | X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a pentyltrifluoromethanesulfonamide tetramethylrhodamine ligand (TMR-T5) | | Descriptor: | CALCIUM ION, Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[5-(trifluoromethylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium | | Authors: | Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J. | | Deposit date: | 2022-04-08 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Exchangeable HaloTag Ligands for Super-Resolution Fluorescence Microscopy.
J.Am.Chem.Soc., 145, 2023
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1UK7
 | | Crystal structure of a meta-cleavage product hydrolase (CumD) complexed with n-butyrate | | Descriptor: | 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase, butanoic acid | | Authors: | Fushinobu, S, Jun, S.-Y, Hidaka, M, Nojiri, H, Yamane, H, Shoun, H, Omori, T, Wakagi, T. | | Deposit date: | 2003-08-19 | | Release date: | 2004-09-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Series of Crystal Structures of a meta-Cleavage Product Hydrolase from Pseudomonas fluorescens IP01 (CumD) Complexed with Various Cleavage Products
BIOSCI.BIOTECHNOL.BIOCHEM., 69, 2005
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1UKA
 | | Crystal structure of a meta-cleavage product hydrolase (CumD) complexed with (S)-2-methylbutyrate | | Descriptor: | 2-METHYLBUTANOIC ACID, 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase | | Authors: | Fushinobu, S, Jun, S.-Y, Hidaka, M, Nojiri, H, Yamane, H, Shoun, H, Omori, T, Wakagi, T. | | Deposit date: | 2003-08-19 | | Release date: | 2004-09-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Series of Crystal Structures of a meta-Cleavage Product Hydrolase from Pseudomonas fluorescens IP01 (CumD) Complexed with Various Cleavage Products
BIOSCI.BIOTECHNOL.BIOCHEM., 69, 2005
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5URO
 | | Structure of a soluble epoxide hydrolase identified in Trichoderma reesei | | Descriptor: | 2,2'-oxydi(ethyn-1-ol), Predicted protein | | Authors: | Wilson, C, de Oliveira, G, Chambergo, F, Dias, M.V.B. | | Deposit date: | 2017-02-11 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Structure of a soluble epoxide hydrolase identified in Trichoderma reesei.
Biochim. Biophys. Acta, 1865, 2017
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6QHV
 | | Time resolved structural analysis of the full turnover of an enzyme - 100 ms | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.715 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6N5H
 | | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 5 | | Descriptor: | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, Epoxide hydrolase TrEH | | Authors: | Oliveira, G.S, Adriano, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | | Deposit date: | 2018-11-21 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.717 Å) | | Cite: | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors
Int. J. Biol. Macromol., 129, 2019
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6QHW
 | | Time resolved structural analysis of the full turnover of an enzyme - 4512 ms | | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.718 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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2YAS
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6JR9
 | | ZHD/W183F complex with ZEN | | Descriptor: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, GLYCEROL, POTASSIUM ION, ... | | Authors: | Hu, X.J. | | Deposit date: | 2019-04-03 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structure of ZHD complex
To Be Published
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6QHT
 | | Time resolved structural analysis of the full turnover of an enzyme - 376 ms | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QI2
 | | Time resolved structural analysis of the full turnover of an enzyme - 13536 ms | | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QHU
 | | Time resolved structural analysis of the full turnover of an enzyme - 100 ms | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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1HL7
 | | Gamma lactamase from an Aureobacterium species in complex with 3a,4,7,7a-tetrahydro-benzo [1,3] dioxol-2-one | | Descriptor: | 3A,4,7,7A-TETRAHYDRO-BENZO [1,3] DIOXOL-2-ONE, GAMMA LACTAMASE | | Authors: | Line, K, Isupov, M.N, Littlechild, J.A. | | Deposit date: | 2003-03-14 | | Release date: | 2004-03-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The Crystal Structure of a (-)Gamma-Lactamase from an Aureobacterium Species Reveals a Tetrahedral Intermediate in the Active Site
J.Mol.Biol., 338, 2004
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1HKH
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6QHS
 | | Time resolved structural analysis of the full turnover of an enzyme - 564 ms | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.733 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QI0
 | | Time resolved structural analysis of the full turnover of an enzyme - 9024 ms | | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ... | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.733 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QHQ
 | | Time resolved structural analysis of the full turnover of an enzyme - 1128 ms | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.735 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QI3
 | | Time resolved structural analysis of the full turnover of an enzyme - 27072 ms | | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.739 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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3FOB
 | | Crystal structure of bromoperoxidase from Bacillus anthracis | | Descriptor: | Bromoperoxidase, CHLORIDE ION, SODIUM ION | | Authors: | Osipiuk, J, Gu, M, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2008-12-29 | | Release date: | 2009-01-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | X-ray crystal structure of bromoperoxidase from Bacillus anthracis.
To be Published
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7O8B
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4CCW
 | | Crystal structure of naproxen esterase (carboxylesterase NP) from Bacillus subtilis | | Descriptor: | (2-hydroxyethoxy)acetic acid, CARBOXYL ESTERASE NP | | Authors: | Rozeboom, H.J, Godinho, L.F, Nardini, M, Quax, W.J, Dijkstra, B.W. | | Deposit date: | 2013-10-29 | | Release date: | 2014-01-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structures of Two Bacillus Carboxylesterases with Different Enantioselectivities.
Biochim.Biophys.Acta, 1844, 2014
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