5K3E
 
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Glycolate - Cocrystallized | | 分子名称: | CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID | | 著者 | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | 登録日 | 2016-05-19 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
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8OOH
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8PI1
 | | Bicyclic INCYPRO Pseudomonas fluorescens esterase | | 分子名称: | Arylesterase, GLYCEROL, N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide | | 著者 | Kiehstaller, S, Pearce, N.M, Grossmann, T.N, Hennig, S. | | 登録日 | 2023-06-20 | | 公開日 | 2023-11-01 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Covalent bicyclization of protein complexes yields durable quaternary structures.
Chem, 10, 2024
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5JZS
 | | HsaD bound to 3,5-dichloro-4-hydroxybenzoic acid | | 分子名称: | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD, 3,5-dichloro-4-hydroxybenzoic acid | | 著者 | Ryan, A, Polycarpou, E, Lack, N, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E.D, Ballet, R, Abuhammad, A, Ciulli, A, Sim, E. | | 登録日 | 2016-05-17 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
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5K3A
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Both Protomers Reacted with Ligand | | 分子名称: | CHLORIDE ION, Fluoroacetate dehalogenase | | 著者 | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | 登録日 | 2016-05-19 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.511 Å) | | 主引用文献 | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
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5K3B
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate - Cocrystallized | | 分子名称: | CHLORIDE ION, Fluoroacetate dehalogenase, chloroacetic acid | | 著者 | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | 登録日 | 2016-05-19 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
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5K3D
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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 | | 分子名称: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, D(-)-TARTARIC ACID, ... | | 著者 | Bui, S, Steiner, R.A. | | 登録日 | 2023-04-15 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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 | | 分子名称: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-(ACETYLAMINO)BENZOIC ACID, GLYCEROL, ... | | 著者 | Bui, S, Steiner, R.A. | | 登録日 | 2023-05-02 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | | 主引用文献 | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
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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 | | 分子名称: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ... | | 著者 | Bui, S, Steiner, R.A. | | 登録日 | 2023-05-02 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
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5JZB
 | | Crystal structure of HsaD bound to 3,5-dichlorobenzene sulphonamide | | 分子名称: | 3,5-dichlorobenzene-1-sulfonamide, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, PHOSPHATE ION | | 著者 | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | | 登録日 | 2016-05-16 | | 公開日 | 2017-04-05 | | 最終更新日 | 2017-07-05 | | 実験手法 | X-RAY DIFFRACTION (2.102 Å) | | 主引用文献 | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
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5K3C
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/5-Fluorotryptophan | | 分子名称: | CHLORIDE ION, Fluoroacetate dehalogenase | | 著者 | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | 登録日 | 2016-05-19 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.541 Å) | | 主引用文献 | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
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5JZ9
 | | Crystal structure of HsaD bound to 3,5-dichloro-4-hydroxybenzenesulphonic acid | | 分子名称: | 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | | 著者 | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | | 登録日 | 2016-05-16 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
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5K3F
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Single Protomer Reacted with Ligand | | 分子名称: | CHLORIDE ION, Fluoroacetate dehalogenase | | 著者 | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | 登録日 | 2016-05-19 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
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8QN0
 | | Soluble epoxide hydrolase in complex with RK3 | | 分子名称: | (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 | | 著者 | 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) | | 登録日 | 2023-09-25 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Photosensitization enables Pauson-Khand-type reactions with nitrenes.
Science, 383, 2024
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8QMZ
 | | Soluble epoxide hydrolase in complex with RK4 | | 分子名称: | (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 | | 著者 | 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) | | 登録日 | 2023-09-25 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Photosensitization enables Pauson-Khand-type reactions with nitrenes.
Science, 383, 2024
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8QZD
 | | Soluble epoxide hydrolase in complex with Epoxykinin | | 分子名称: | 1,2-ETHANEDIOL, 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide, BROMIDE ION, ... | | 著者 | Kumar, A, Ehrler, J.M.H, Ziegler, S, Doetsch, L, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-10-27 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator.
J.Med.Chem., 67, 2024
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3BDI
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3B12
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3C6Y
 | | HNL from Hevea brasiliensis to atomic resolution | | 分子名称: | ACETONE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Schmidt, A. | | 登録日 | 2008-02-06 | | 公開日 | 2008-06-03 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Atomic resolution crystal structures and quantum chemistry meet to reveal subtleties of hydroxynitrile lyase catalysis
J.Biol.Chem., 283, 2008
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3C6X
 | | HNL from Hevea brasiliensis to atomic resolution | | 分子名称: | BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, Hydroxynitrilase, ... | | 著者 | Schmidt, A. | | 登録日 | 2008-02-06 | | 公開日 | 2008-06-03 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Atomic resolution crystal structures and quantum chemistry meet to reveal subtleties of hydroxynitrile lyase catalysis
J.Biol.Chem., 283, 2008
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3C70
 | | HNL from Hevea brasiliensis to atomic resolution | | 分子名称: | Hydroxynitrilase, SULFATE ION, THIOCYANATE ION | | 著者 | Schmidt, A. | | 登録日 | 2008-02-06 | | 公開日 | 2008-06-03 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Atomic resolution crystal structures and quantum chemistry meet to reveal subtleties of hydroxynitrile lyase catalysis
J.Biol.Chem., 283, 2008
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3C6Z
 | | HNL from Hevea brasiliensis to atomic resolution | | 分子名称: | BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, Hydroxynitrilase, ... | | 著者 | Schmidt, A. | | 登録日 | 2008-02-06 | | 公開日 | 2008-06-03 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Atomic resolution crystal structures and quantum chemistry meet to reveal subtleties of hydroxynitrile lyase catalysis
J.Biol.Chem., 283, 2008
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3CXU
 | | Structure of a Y149F mutant of epoxide hydrolase from Solanum tuberosum | | 分子名称: | Epoxide hydrolase, TETRAETHYLENE GLYCOL | | 著者 | Naworyta, A, Mowbray, S.L, Widersten, M, Thomaeus, A. | | 登録日 | 2008-04-25 | | 公開日 | 2008-07-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Removal of distal protein-water hydrogen bonds in a plant epoxide hydrolase increases catalytic turnover but decreases thermostability
Protein Sci., 17, 2008
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3DQZ
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