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6COB
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BU of 6cob by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,F179L,A209I
Descriptor: Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL
Authors:Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
Deposit date:2018-03-12
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:AtHNL enantioselectivity mutants
To be published
6COI
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BU of 6coi by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with CYANIDE, benzaldehyde, MANDELIC ACID NITRILE
Descriptor: (2R)-hydroxy(phenyl)ethanenitrile, (S)-MANDELIC ACID NITRILE, Alpha-hydroxynitrile lyase, ...
Authors:Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
Deposit date:2018-03-12
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.024 Å)
Cite:AtHNL enantioselectivity mutants
To be published
7CG2
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BU of 7cg2 by Molmil
Vigna radiata Epoxide hydrolase mutant
Descriptor: Epoxide hydrolase
Authors:Li, F.L, Yu, H.L, Xu, J.H.
Deposit date:2020-06-30
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Reprogramming Epoxide Hydrolase to Improve Enantioconvergence in Hydrolysis of Styrene Oxide Scaffolds
Adv.Synth.Catal., 362, 2021
7CG6
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BU of 7cg6 by Molmil
Vigna radiata Epoxide hydrolase mutant M263Q
Descriptor: Epoxide hydrolase
Authors:Li, F.L, Yu, H.L, Xu, J.H.
Deposit date:2020-06-30
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reprogramming Epoxide Hydrolase to Improve Enantioconvergence in Hydrolysis of Styrene Oxide Scaffolds
Adv.Synth.Catal., 362, 2021
6TY7
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BU of 6ty7 by Molmil
Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-1
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Markova, K, Chaloupkova, R, Damborsky, J, Marek, M.
Deposit date:2020-01-15
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Acs Catalysis, 11, 2021
5VNP
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BU of 5vnp by Molmil
X-ray crystal structure of Halotag bound to the P1 benzoxadiazole fluorogenic ligand
Descriptor: CHLORIDE ION, Haloalkane dehalogenase, N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide
Authors:Dunham, N.P, Boal, A.K.
Deposit date:2017-05-01
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:AgHalo: A Facile Fluorogenic Sensor to Detect Drug-Induced Proteome Stress.
Angew. Chem. Int. Ed. Engl., 56, 2017
6COG
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BU of 6cog by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with benzaldehyde
Descriptor: Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL, ...
Authors:Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
Deposit date:2018-03-12
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:AtHNL enantioselectivity mutants
To be published
5UOH
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BU of 5uoh by Molmil
Crystal Structure of Hip1 (Rv2224c) T466A mutant
Descriptor: Carboxylesterase A
Authors:Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Baikovitz, J, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D.
Deposit date:2017-01-31
Release date:2017-04-12
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.609 Å)
Cite:Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c).
Biochemistry, 56, 2017
7D79
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BU of 7d79 by Molmil
The structure of DcsB complex with its substrate analogue
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DltD domain-containing protein, ...
Authors:Tang, Y, Zhou, J.H, Wang, G.Q.
Deposit date:2020-10-03
Release date:2021-01-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.10411429 Å)
Cite:A Polyketide Cyclase That Forms Medium-Ring Lactones.
J.Am.Chem.Soc., 143, 2021
6T6X
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BU of 6t6x by Molmil
Structure of the Bottromycin epimerase BotH in complex with substrate
Descriptor: (4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, BotH
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T70
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BU of 6t70 by Molmil
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2 derivative
Descriptor: BotH, Bottromycin A2 derivative, CHLORIDE ION, ...
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6CL4
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BU of 6cl4 by Molmil
LipC12 - Lipase from metagenomics
Descriptor: Lipase C12
Authors:Iulek, J, Martini, V.P, Krieger, N, Glogauer, A, Souza, E.M.
Deposit date:2018-03-01
Release date:2019-03-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structure solution and analyses of the first true lipase obtained from metagenomics indicate potential for increased thermostability.
N Biotechnol, 53, 2019
8OOH
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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
5URO
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BU of 5uro by Molmil
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
5W8P
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BU of 5w8p by Molmil
Homoserine transacetylase MetX from Mycobacterium abscessus
Descriptor: GLYCEROL, Homoserine O-acetyltransferase, PHOSPHATE ION, ...
Authors:Rodriguez, E.S, Reed, R.W, Korotkov, K.V.
Deposit date:2017-06-22
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural analysis of mycobacterial homoserine transacetylases central to methionine biosynthesis reveals druggable active site.
Sci Rep, 9, 2019
5UXZ
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BU of 5uxz by Molmil
X-ray crystal structure of Halotag bound to the P9 benzothiadiazole fluorogenic ligand
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Dunham, N.P, Boal, A.K.
Deposit date:2017-02-23
Release date:2017-03-08
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The Cation-pi Interaction Enables a Halo-Tag Fluorogenic Probe for Fast No-Wash Live Cell Imaging and Gel-Free Protein Quantification.
Biochemistry, 56, 2017
7D78
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BU of 7d78 by Molmil
The structure of thioesterase DcsB
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DltD domain-containing protein, ...
Authors:Tang, Y, Zhou, J.H, Wang, G.Q.
Deposit date:2020-10-03
Release date:2021-01-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.96543121 Å)
Cite:A Polyketide Cyclase That Forms Medium-Ring Lactones.
J.Am.Chem.Soc., 143, 2021
6SP5
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BU of 6sp5 by Molmil
Structure of hyperstable haloalkane dehalogenase variant DhaA115
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Chmelova, K, Markova, K, Damborsky, J, Marek, M.
Deposit date:2019-08-30
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst.
Chem Sci, 11, 2020
6COF
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BU of 6cof by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I
Descriptor: Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL
Authors:Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
Deposit date:2018-03-12
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:AtHNL enantioselectivity mutants
To be published
6COC
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BU of 6coc by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,F179L,A209I with benzaldehyde
Descriptor: Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL, ...
Authors:Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
Deposit date:2018-03-12
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:AtHNL enantioselectivity mutants
To be published
8JY1
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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
8ORO
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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
8OXN
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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
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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
8PI1
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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

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PDB entries from 2024-09-18

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