3C6Z
 
 | | HNL from Hevea brasiliensis to atomic resolution | | Descriptor: | BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, Hydroxynitrilase, ... | | Authors: | Schmidt, A. | | Deposit date: | 2008-02-06 | | Release date: | 2008-06-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Atomic resolution crystal structures and quantum chemistry meet to reveal subtleties of hydroxynitrile lyase catalysis
J.Biol.Chem., 283, 2008
|
|
4WDQ
 | | Crystal structure of haloalkane dehalogenase LinB32 mutant (L177W) from Sphingobium japonicum UT26 | | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase, MAGNESIUM ION | | Authors: | Degtjarik, O, Rezacova, P, Chaloupkova, R, Damborsky, J, Kuta-Smatanova, I. | | Deposit date: | 2014-09-09 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structure of haloalkane dehalogenase LinB mutant (L177W) from Sphingobium japonicum UT26
Acs Catalysis, 2016
|
|
4WCV
 | | Haloalkane dehalogenase DhaA mutant from Rhodococcus rhodochrous (T148L+G171Q+A172V+C176G) | | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ... | | Authors: | Holubeva, T, Prudnikova, T, Kuta-Smatanova, I, Rezacova, P. | | Deposit date: | 2014-09-05 | | Release date: | 2014-10-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Balancing the stability-activity trade-off by fine-tuning dehalogenase access tunnels
Chemcatchem, 2015
|
|
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
|
|
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
|
|
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
|
|
4WDR
 | | Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86) from Sphingobium japonicum UT26 | | Descriptor: | CALCIUM ION, CHLORIDE ION, Haloalkane dehalogenase | | Authors: | Degtjarik, O, Rezacova, P, Iermak, I, Chaloupkova, R, Damborsky, J, Kuta-Smatanova, I. | | Deposit date: | 2014-09-09 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of haloalkane dehalogenase LinB mutant (L177W) from Sphingobium japonicum UT26
Acs Catalysis, 2016
|
|
8IK2
 | | RhlA exhibits dual thioesterase and acyltransferase activities during rhamnolipid biosynthesis | | Descriptor: | (3~{S})-3-oxidanyldecanoic acid, 3-(3-hydroxydecanoyloxy)decanoate synthase | | Authors: | Tang, T, Fu, L.H, Xie, W.H, Luo, Y.Z, Zhang, Y.T, Si, T. | | Deposit date: | 2023-02-28 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | RhlA Exhibits Dual Thioesterase and Acyltransferase Activities during Rhamnolipid Biosynthesis
Acs Catalysis, 13, 2023
|
|
3CXU
 | | Structure of a Y149F mutant of epoxide hydrolase from Solanum tuberosum | | Descriptor: | Epoxide hydrolase, TETRAETHYLENE GLYCOL | | Authors: | Naworyta, A, Mowbray, S.L, Widersten, M, Thomaeus, A. | | Deposit date: | 2008-04-25 | | Release date: | 2008-07-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Removal of distal protein-water hydrogen bonds in a plant epoxide hydrolase increases catalytic turnover but decreases thermostability
Protein Sci., 17, 2008
|
|
4X6X
 | | Human soluble epoxide hydrolase in complex with a three substituted cyclopropane derivative | | Descriptor: | 3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid, Bifunctional epoxide hydrolase 2 | | Authors: | Chiyo, N, Takai, K, Ishii, T. | | Deposit date: | 2014-12-09 | | Release date: | 2015-04-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
4X00
 | |
3DQZ
 | | Structure of the hydroxynitrile lyase from Arabidopsis thaliana | | Descriptor: | Alpha-hydroxynitrile lyase-like protein, CHLORIDE ION | | Authors: | Andexer, J, Staunig, N, Gruber, K. | | Deposit date: | 2008-07-10 | | Release date: | 2009-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.504 Å) | | Cite: | Hydroxynitrile lyases with alpha / beta-hydrolase fold: two enzymes with almost identical 3D structures but opposite enantioselectivities and different reaction mechanisms
Chembiochem, 13, 2012
|
|
3E0X
 | |
8G48
 | |
8G49
 | | FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone compound 3 bound | | Descriptor: | Fluorophosphonate-binding serine hydrolase E, methyl 2-formyl-2-[3-methyl-4-(3-phenoxybenzamido)phenyl]hydrazine-1-carboxylate | | Authors: | Fellner, M, Bakker, A.T, Martin, N.I, Stelt, M. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone compound 3 bound
To be published
|
|
3E3A
 | | The Structure of Rv0554 from Mycobacterium tuberculosis | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, POSSIBLE PEROXIDASE BPOC | | Authors: | Johnston, J.M, Baker, E.N. | | Deposit date: | 2008-08-06 | | Release date: | 2009-06-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and functional analysis of Rv0554 from Mycobacterium tuberculosis: testing a putative role in menaquinone biosynthesis.
Acta Crystallogr.,Sect.D, 66, 2010
|
|
8JLV
 | |
8OE2
 | | Structure of hyperstable haloalkane dehalogenase variant DhaA223 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Marek, M. | | Deposit date: | 2023-03-10 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Advancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning.
Acs Catalysis, 13, 2023
|
|
7WAN
 | | Crystal structure of HaloTag complexed with UL2 | | Descriptor: | (R)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol, CHLORIDE ION, Haloalkane dehalogenase | | Authors: | Pratyush, M, Kang, M, Lee, H, Lee, C, Rhee, H. | | Deposit date: | 2021-12-14 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.284 Å) | | Cite: | A chemical tool for blue light-inducible proximity photo-crosslinking in live cells.
Chem Sci, 13, 2022
|
|
7WAM
 | | Crystal structure of HaloTag complexed with VL1 | | Descriptor: | 3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-[2-(2-hexoxyethoxy)ethyl]propanamide, CHLORIDE ION, Haloalkane dehalogenase | | Authors: | Pratyush, M, Kang, M, Lee, H, Lee, C, Rhee, H. | | Deposit date: | 2021-12-14 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | A chemical tool for blue light-inducible proximity photo-crosslinking in live cells.
Chem Sci, 13, 2022
|
|
7YAS
 | | HYDROXYNITRILE LYASE, LOW TEMPERATURE NATIVE STRUCTURE | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, PROTEIN (HYDROXYNITRILE LYASE), ... | | Authors: | Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C. | | Deposit date: | 1999-03-15 | | Release date: | 1999-10-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999
|
|
7ZBD
 | | HaloTag with TRaQ-G ligand | | Descriptor: | (10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K. | | Deposit date: | 2022-03-23 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
|
|
7ZBB
 | | HaloTag with TRaQ-G-ctrl ligand | | Descriptor: | (E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium, CHLORIDE ION, GLYCEROL, ... | | Authors: | Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K. | | Deposit date: | 2022-03-23 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
|
|
7ZBA
 | | HaloTag with Me-TRaQ-G ligand | | Descriptor: | 4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K. | | Deposit date: | 2022-03-23 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023
|
|
5HZ2
 | | Crystal structure of PhaC1 from Ralstonia eutropha | | Descriptor: | GLYCEROL, Poly-beta-hydroxybutyrate polymerase, SULFATE ION | | Authors: | Kim, J, Kim, K.-J. | | Deposit date: | 2016-02-02 | | Release date: | 2016-12-07 | | Last modified: | 2017-04-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of Ralstonia eutropha polyhydroxyalkanoate synthase C-terminal domain and reaction mechanisms.
Biotechnol J, 12, 2017
|
|
