4KAC
 
 | | X-Ray Structure of the complex HaloTag2 with HALTS. Northeast Structural Genomics Consortium (NESG) Target OR150. | | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AMMONIUM ION, Haloalkane dehalogenase, ... | | 著者 | Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C.M, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2013-04-22 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.223 Å) | | 主引用文献 | Northeast Structural Genomics Consortium Target OR150
To be Published
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5ALX
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-08 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5VNP
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6N3Z
 | | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 4 | | 分子名称: | Epoxide hydrolase TrEH, N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide | | 著者 | de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | | 登録日 | 2018-11-16 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.238 Å) | | 主引用文献 | 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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3HI4
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3OM8
 | | The crystal structure of a hydrolase from Pseudomonas aeruginosa PA01 | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable hydrolase | | 著者 | Tan, K, Chhor, G, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2010-08-26 | | 公開日 | 2010-09-22 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | The crystal structure of a hydrolase from Pseudomonas aeruginosa PA01
To be Published
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6K5E
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3KXP
 | | Crystal Structure of E-2-(Acetamidomethylene)succinate Hydrolase | | 分子名称: | Alpha-(N-acetylaminomethylene)succinic acid hydrolase, CHLORIDE ION | | 著者 | McCulloch, K.M, Mukherjee, T, Begley, T.P, Ealick, S.E. | | 登録日 | 2009-12-03 | | 公開日 | 2010-02-09 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Structure determination and characterization of the vitamin B(6) degradative enzyme (E)-2-(acetamidomethylene)succinate hydrolase.
Biochemistry, 49, 2010
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5AIA
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | 5-cyclohexyl-2-hydroxybenzoate, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-02-12 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5ALD
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | 5-cyclohexyl-1,3-dihydroindol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-08 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AM5
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | 5-cyclohexyl-3-propyl-1H-pyridin-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-09 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AKE
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-03 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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6FR2
 | | Soluble epoxide hydrolase in complex with LK864 | | 分子名称: | 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | | 著者 | Kramer, J.S, Pogoryelov, D, Krasavin, M, Proschak, E. | | 登録日 | 2018-02-15 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.262 Å) | | 主引用文献 | Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase.
Bioorg. Chem., 80, 2018
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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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5Y2Y
 | | Crystal structure of HaloTag (M175C) complexed with dansyl-PEG2-HaloTag ligand | | 分子名称: | 5-(dimethylamino)-~{N}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide, CHLORIDE ION, Haloalkane dehalogenase | | 著者 | Lee, H, Kang, M, Rhee, H, Lee, C. | | 登録日 | 2017-07-27 | | 公開日 | 2017-09-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structure-guided synthesis of a protein-based fluorescent sensor for alkyl halides
Chem. Commun. (Camb.), 53, 2017
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4KAA
 | | Crystal structure of the halotag2 protein at the resolution 2.3A, Northeast Structural Genomics Consortium (NESG) target OR150 | | 分子名称: | DI(HYDROXYETHYL)ETHER, Haloalkane dehalogenase, SODIUM ION | | 著者 | Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Crews, C, Tong, L, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2013-04-22 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.276 Å) | | 主引用文献 | Northeast Structural Genomics Consortium Target OR150
To be Published
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5AI5
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | 1,3-DIPHENYLUREA, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-02-12 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AK3
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, INDAN-2-AMINE, ... | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-02 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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7WAN
 | | Crystal structure of HaloTag complexed with UL2 | | 分子名称: | (R)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol, CHLORIDE ION, Haloalkane dehalogenase | | 著者 | Pratyush, M, Kang, M, Lee, H, Lee, C, Rhee, H. | | 登録日 | 2021-12-14 | | 公開日 | 2022-02-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.284 Å) | | 主引用文献 | A chemical tool for blue light-inducible proximity photo-crosslinking in live cells.
Chem Sci, 13, 2022
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8B6N
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4Y2S
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6RB3
 | | Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqdC variant in complex with its substrate | | 分子名称: | 2-heptylquinoline-3,4-diol, Putative dioxygenase (1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase) | | 著者 | Wullich, S, Kobus, S, Smits, S.H, Fetzner, S. | | 登録日 | 2019-04-09 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqdC, a mycobacterial dioxygenase of the alpha / beta-hydrolase fold family.
J.Struct.Biol., 207, 2019
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6RA2
 | | Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqDC | | 分子名称: | Putative dioxygenase (1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase) | | 著者 | Wullich, S, Kobus, S, Smits, S.H, Fetzner, S. | | 登録日 | 2019-04-05 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqdC, a mycobacterial dioxygenase of the alpha / beta-hydrolase fold family.
J.Struct.Biol., 207, 2019
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4Y2Y
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7PCW
 | | X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-M175W LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE | | 分子名称: | CHLORIDE ION, Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium | | 著者 | Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K. | | 登録日 | 2021-08-04 | | 公開日 | 2021-12-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Engineered HaloTag variants for fluorescence lifetime multiplexing.
Nat.Methods, 19, 2022
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