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6RS4
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BU of 6rs4 by Molmil
Structure of tabersonine synthase - an alpha-beta hydrolase from Catharanthus roseus
Descriptor: 1,2-ETHANEDIOL, Tabersonine synthase
Authors:Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E.
Deposit date:2019-05-21
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
6RT8
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BU of 6rt8 by Molmil
Structure of catharanthine synthase - an alpha-beta hydrolase from Catharanthus roseus with a cleaviminium intermediate bound
Descriptor: 18-carboxymethoxy-cleaviminium, Catharanthine synthase, HEXAETHYLENE GLYCOL
Authors:Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E.
Deposit date:2019-05-22
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
5DCW
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BU of 5dcw by Molmil
Iridoid synthase from Catharanthus roseus - ligand free structure
Descriptor: 1,2-ETHANEDIOL, Iridoid synthase
Authors:Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E.
Deposit date:2015-08-24
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural determinants of reductive terpene cyclization in iridoid biosynthesis.
Nat.Chem.Biol., 12, 2016
6RJ8
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BU of 6rj8 by Molmil
Structure of the alpha-beta hydrolase CorS from Tabernathe iboga
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ...
Authors:Farrow, S.C, Caputi, L, Kamileen, M.O, Bussey, K, Stevenson, C.E.M, Mundy, J, Lawson, D.M, O'Connor, S.E.
Deposit date:2019-04-26
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
5DCU
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BU of 5dcu by Molmil
Iridoid synthase from Catharanthus roseus - ternary complex with NADP+ and triethylene glycol carboxylic acid
Descriptor: 1,2-ETHANEDIOL, Iridoid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E.
Deposit date:2015-08-24
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural determinants of reductive terpene cyclization in iridoid biosynthesis.
Nat.Chem.Biol., 12, 2016
5DF1
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BU of 5df1 by Molmil
Iridoid synthase from Catharanthus roseus - ternary complex with NADP+ and geranic acid
Descriptor: (2E)-3,7-dimethylocta-2,6-dienoic acid, 1,2-ETHANEDIOL, IMIDAZOLE, ...
Authors:Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E.
Deposit date:2015-08-26
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural determinants of reductive terpene cyclization in iridoid biosynthesis.
Nat.Chem.Biol., 12, 2016
5DCY
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BU of 5dcy by Molmil
Iridoid synthase G150A mutant from Catharanthus roseus - binary complex with NADP+
Descriptor: 1,2-ETHANEDIOL, Iridoid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E.
Deposit date:2015-08-24
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural determinants of reductive terpene cyclization in iridoid biosynthesis.
Nat.Chem.Biol., 12, 2016
7QUJ
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BU of 7quj by Molmil
Structure of NsNEPS2, a 7S-cis-trans nepetalactone synthase
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NsNEPS2
Authors:Hernandez Lozada, N.J, Hong, B, Wood, J.C, Caputi, L, Basquin, J, Chuang, L, Kunert, M, Rodriguez Lopez, C.R, Langley, C, Zhao, D, Buell, C.R, Lichman, B.R, O'Connor, S.E.
Deposit date:2022-01-18
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biocatalytic routes to stereo-divergent iridoids.
Nat Commun, 13, 2022
8P5O
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BU of 8p5o by Molmil
Proline activating adenylation domain of gramicidin S synthetase 2 - GrsB1-Acore
Descriptor: Gramicidin S synthase 2
Authors:Stephan, P, Basquin, J, Caputi, L, O'Connor, S.E, Kries, H.
Deposit date:2023-05-24
Release date:2023-07-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Directed Evolution of Piperazic Acid Incorporation by a Nonribosomal Peptide Synthetase.
Angew.Chem.Int.Ed.Engl., 62, 2023
5H83
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BU of 5h83 by Molmil
HETEROYOHIMBINE SYNTHASE HYS FROM CATHARANTHUS ROSEUS - APO FORM
Descriptor: ZINC ION, heteroyohimbine synthase HYS
Authors:Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E.
Deposit date:2015-12-23
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
5H82
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BU of 5h82 by Molmil
HETEROYOHIMBINE SYNTHASE THAS2 FROM CATHARANTHUS ROSEUS - APO FORM
Descriptor: ZINC ION, heteroyohimbine synthase THAS2
Authors:Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E.
Deposit date:2015-12-23
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
5M0T
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BU of 5m0t by Molmil
Alpha-ketoglutarate-dependent non-heme iron oxygenase EasH
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent non-heme iron oxygenase EasH, FE (II) ION, ...
Authors:Jakubczyk, D, Caputi, L, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E.
Deposit date:2016-10-05
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural characterization of EasH (Aspergillus japonicus) - an oxidase involved in cycloclavine biosynthesis.
Chem. Commun. (Camb.), 52, 2016
5O98
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BU of 5o98 by Molmil
Binary complex of Catharanthus roseus Vitrosamine Synthase with NADP+
Descriptor: Alcohol dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Stavrinides, A.K, Tatsis, E.C, Dang, T.T, Caputi, L, Stevenson, C.E.M, Lawson, D.M, Schneider, B, O'Connor, S.E.
Deposit date:2017-06-16
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of a Short-Chain Dehydrogenase from Catharanthus roseus that Produces a New Monoterpene Indole Alkaloid.
Chembiochem, 19, 2018
4D47
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BU of 4d47 by Molmil
X-ray structure of the levansucrase from Erwinia amylovora
Descriptor: LEVANSUCRASE, alpha-D-glucopyranose, beta-D-fructofuranose
Authors:Wuerges, J, Caputi, L, Cianci, M, Benini, S.
Deposit date:2014-10-27
Release date:2015-08-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:The Crystal Structure of Erwinia Amylovora Levansucrase Provides a Snapshot of the Products of Sucrose Hydrolysis Trapped Into the Active Site.
J.Struct.Biol., 191, 2015
5FI5
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BU of 5fi5 by Molmil
HETEROYOHIMBINE SYNTHASE THAS1 FROM CATHARANTHUS ROSEUS - APO FORM
Descriptor: PHOSPHATE ION, Tetrahydroalstonine synthase, ZINC ION
Authors:Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E.
Deposit date:2015-12-22
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
5FI3
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BU of 5fi3 by Molmil
HETEROYOHIMBINE SYNTHASE THAS1 FROM CATHARANTHUS ROSEUS - COMPLEX WITH NADP+
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Tetrahydroalstonine synthase, ...
Authors:Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E.
Deposit date:2015-12-22
Release date:2016-07-27
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
5H81
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BU of 5h81 by Molmil
HETEROYOHIMBINE SYNTHASE THAS2 FROM CATHARANTHUS ROSEUS - COMPLEX WITH NADP+
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION, heteroyohimbine synthase THAS2
Authors:Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E.
Deposit date:2015-12-23
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
8A3N
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BU of 8a3n by Molmil
Geissoschizine synthase from Catharanthus roseus - binary complex with NADP+
Descriptor: Geissoschizine synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION
Authors:Langley, C, Tatsis, E, Hong, B, Nakamura, Y, Kamileen, M.O, Paetz, C, Stevenson, C.E.M, Basquin, J, Lawson, D.M, Caputi, L, O'Connor, S.E.
Deposit date:2022-06-08
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
8B25
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BU of 8b25 by Molmil
Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga - stemmadenine acetate bound structure
Descriptor: 1,2-ETHANEDIOL, Dihydroprecondylocarpine acetate synthase 2, SULFATE ION, ...
Authors:Langley, C, Basquin, J, Caputi, L, O'Connor, S.E.
Deposit date:2022-09-13
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
8B26
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BU of 8b26 by Molmil
Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga
Descriptor: Dihydroprecondylocarpine acetate synthase 2, ZINC ION
Authors:Langley, C, Basquin, J, Caputi, L, O'Connor, S.E.
Deposit date:2022-09-13
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
8B1V
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BU of 8b1v by Molmil
Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga
Descriptor: Dihydroprecondylocarpine acetate synthase 2, ZINC ION, precondylocarpine acetate
Authors:Langley, C, Basquin, J, Caputi, L, O'Connor, S.E.
Deposit date:2022-09-12
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.882 Å)
Cite:Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
8B27
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BU of 8b27 by Molmil
Dihydroprecondylocarpine acetate synthase from Catharanthus roseus
Descriptor: Dehydroprecondylocarpine acetate synthase, SULFATE ION
Authors:Langley, C, Basquin, J, Caputi, L, O'Connor, S.E.
Deposit date:2022-09-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
4D74
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1.57 A crystal structure of erwinia amylovora tyrosine phosphatase amsI
Descriptor: PROTEIN-TYROSINE-PHOSPHATASE AMSI, SULFATE ION
Authors:Benini, S, Salomone-Stagni, M, Caputi, L, Cianci, M.
Deposit date:2014-11-19
Release date:2016-01-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Characterization and 1.57 A Resolution Structure of the Key Fire Blight Phosphatase Amsi from Erwinia Amylovora
Acta Crystallogr.,Sect.F, 72, 2016

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