7H2W
 
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z3765495818 (A71EV2A-x0202) | | Descriptor: | (4R)-imidazo[1,2-b]pyridazine-3-sulfonamide, DIMETHYL SULFOXIDE, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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6OTV
 | | Crystal structure of putative isomerase EC2056 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, PHOSPHATE ION, ... | | Authors: | Chang, C, Evdokimova, E, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-05-03 | | Release date: | 2019-05-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of putative isomerase EC2056
To Be Published
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7H4V
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z57663553 (A71EV2A-x1128) | | Descriptor: | 5-phenyl-1,3,4-oxadiazol-2-ol, DIMETHYL SULFOXIDE, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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7H39
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z50145861 (A71EV2A-x0341) | | Descriptor: | 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, DIMETHYL SULFOXIDE, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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7H2U
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z355202286 (A71EV2A-x0188) | | Descriptor: | (2R)-2-ethyl-N,N-dimethylmorpholine-4-sulfonamide, DIMETHYL SULFOXIDE, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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7H36
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1688504114 (A71EV2A-x0310) | | Descriptor: | 2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide, DIMETHYL SULFOXIDE, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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7H3F
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z56960214 (A71EV2A-x0379) | | Descriptor: | DIMETHYL SULFOXIDE, N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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7H3E
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z56921372 (A71EV2A-x0375) | | Descriptor: | DIMETHYL SULFOXIDE, N-(2-methoxyphenyl)thiourea, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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7H3K
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z71580604 (A71EV2A-x0416) | | Descriptor: | (2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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6OAC
 | | PQR530 [(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine] bound to the PI3Ka catalytic subunit p110alpha | | Descriptor: | 4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Burke, J.E, McPhail, J.A. | | Deposit date: | 2019-03-15 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | (S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine (PQR530), a Potent, Orally Bioavailable, and Brain-Penetrable Dual Inhibitor of Class I PI3K and mTOR Kinase.
J.Med.Chem., 62, 2019
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7H3U
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1198158918 (A71EV2A-x0497) | | Descriptor: | 1H-indazole-3-carbonitrile, DIMETHYL SULFOXIDE, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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7H3L
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z751811134 (A71EV2A-x0428) | | Descriptor: | DIMETHYL SULFOXIDE, N,N-dimethylpyridine-3-sulfonamide, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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6XWK
 | | Crystal structure of Phormidium rubidum phycocyanin | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IMIDAZOLE, ... | | Authors: | Sonani, R.R, Roszak, A.W, Cogdell, R.J, Madamwar, D, Liu, H, Gross, M.L, Blankenship, R.E. | | Deposit date: | 2020-01-23 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Revisiting high-resolution crystal structure of Phormidium rubidum phycocyanin.
Photosyn. Res., 144, 2020
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7H3Z
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1216861874 (A71EV2A-x0525) | | Descriptor: | (5S)-5-(difluoromethoxy)pyridin-2(5H)-one, DIMETHYL SULFOXIDE, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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7H3X
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1201621547 (A71EV2A-x0515) | | Descriptor: | DIMETHYL SULFOXIDE, Protease 2A, ZINC ION, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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6XXH
 | | Crystal Structure of Human Deoxyhypusine Synthase in apo form | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | | Authors: | Wator, E, Wilk, P, Grudnik, P. | | Deposit date: | 2020-01-27 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase.
Biomolecules, 10, 2020
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7H4M
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1457921102 (A71EV2A-x0911) | | Descriptor: | (3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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7H41
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1217960891 (A71EV2A-x0528) | | Descriptor: | (3R)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one, DIMETHYL SULFOXIDE, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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7H4N
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z19733482 (A71EV2A-x0922) | | Descriptor: | DIMETHYL SULFOXIDE, N,N-dimethyl-2-(2-methylphenoxy)acetamide, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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7H3W
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1201620232 (A71EV2A-x0514) | | Descriptor: | 5-methoxy-1,3-benzothiazol-2-amine, DIMETHYL SULFOXIDE, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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5LLH
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-(1,3-Benzothiazol-2-ylthio)-2,3,5,6-tetrafluorobenzenesulfonamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ... | | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | | Deposit date: | 2016-07-27 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
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6XXL
 | | Crystal Structure of Human Deoxyhypusine Synthase in complex with spermine | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Wator, E, Wilk, P, Grudnik, P. | | Deposit date: | 2020-01-27 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase.
Biomolecules, 10, 2020
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7H30
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z437516460 (A71EV2A-x0237) | | Descriptor: | DIMETHYL SULFOXIDE, N-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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6AJC
 | | Crystal structure of Trypanosoma cruzi cytosolic isocitrate dehydrogenase in complex with NADP+, isocitrate and ca2+ | | Descriptor: | CALCIUM ION, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP], ... | | Authors: | Wang, X, Inaoka, D.K, Shiba, T, Balogun, E.O, Ziebart, N, Allman, S, Watanabe, Y, Nozaki, T, Boshart, M, Bringaud, F, Harada, S, Kita, K. | | Deposit date: | 2018-08-27 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+)
To Be Published
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7H38
 | | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z45617795 (A71EV2A-x0333) | | Descriptor: | DIMETHYL SULFOXIDE, N-(2-phenylethyl)methanesulfonamide, Protease 2A, ... | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease
To Be Published
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