7H53
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![BU of 7h53 by Molmil](/molmil-images/mine/7h53) | 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 NCL-00024387 (A71EV2A-x1255) | Descriptor: | 4-bromanyl-1-(2-methoxyethyl)pyridin-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 (1.12 Å) | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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7H3Y
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![BU of 7h3y by Molmil](/molmil-images/mine/7h3y) | 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 Z1203107138 (A71EV2A-x0517) | Descriptor: | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-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 (1.11 Å) | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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4XD3
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![BU of 4xd3 by Molmil](/molmil-images/mine/4xd3) | Phosphotriesterase variant E3 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-E1, ... | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | Deposit date: | 2014-12-19 | Release date: | 2015-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | The role of protein dynamics in the evolution of new enzyme function. Nat.Chem.Biol., 12, 2016
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7H54
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![BU of 7h54 by Molmil](/molmil-images/mine/7h54) | 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 Z57473948 (A71EV2A-x1292) | Descriptor: | DIMETHYL SULFOXIDE, N-cyclopropyl-2-hydroxybenzamide, 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 (1.1 Å) | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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7H45
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![BU of 7h45 by Molmil](/molmil-images/mine/7h45) | 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 Z1259207775 (A71EV2A-x0556) | Descriptor: | 4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-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 (1.32 Å) | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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7H4G
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![BU of 7h4g by Molmil](/molmil-images/mine/7h4g) | 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 Z239127534 (A71EV2A-x0831) | Descriptor: | 3-(benzyloxy)aniline, 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 (1.72 Å) | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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7H35
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![BU of 7h35 by Molmil](/molmil-images/mine/7h35) | 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 Z1685106505 (A71EV2A-x0309) | Descriptor: | (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole, 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 (1.8 Å) | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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7H4M
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![BU of 7h4m by Molmil](/molmil-images/mine/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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7ZBP
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![BU of 7zbp by Molmil](/molmil-images/mine/7zbp) | Unspecific peroxygenase from Marasmius rotula | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Santillana, E, Romero, A. | Deposit date: | 2022-03-24 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Characterization of Two Short Unspecific Peroxygenases: Two Different Dimeric Arrangements. Antioxidants, 11, 2022
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7H3E
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![BU of 7h3e by Molmil](/molmil-images/mine/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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7ZCL
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![BU of 7zcl by Molmil](/molmil-images/mine/7zcl) | Unspecific peroxygenase from Collariella virescens | Descriptor: | Collariella virescens UPO, HEME C, MAGNESIUM ION | Authors: | Santillana, E, Romero, A. | Deposit date: | 2022-03-28 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Characterization of Two Short Unspecific Peroxygenases: Two Different Dimeric Arrangements. Antioxidants, 11, 2022
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7H4Z
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![BU of 7h4z by Molmil](/molmil-images/mine/7h4z) | 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 Z1213725191 (A71EV2A-x1148) | Descriptor: | 4-bromo-1H-imidazole, 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 (1.71 Å) | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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7H3T
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![BU of 7h3t by Molmil](/molmil-images/mine/7h3t) | 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 Z1154747269 (A71EV2A-x0488) | Descriptor: | 3-(2-hydroxyethyl)pyrimidin-4(3H)-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 (1.2 Å) | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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7H51
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![BU of 7h51 by Molmil](/molmil-images/mine/7h51) | 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 Z1198183601 (A71EV2A-x1180) | Descriptor: | 5-chloro-1H-imidazole, DIMETHYL SULFOXIDE, GLYCEROL, ... | 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 (1.05 Å) | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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7H48
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![BU of 7h48 by Molmil](/molmil-images/mine/7h48) | 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 Z1333043510 (A71EV2A-x0586) | Descriptor: | 1-methyl-3,4-dihydro-2~{H}-quinoline-7-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 (1.23 Å) | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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7H4O
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![BU of 7h4o by Molmil](/molmil-images/mine/7h4o) | 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 NCL-00024665 (A71EV2A-x1019) | Descriptor: | 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, 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 (2.2 Å) | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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7H52
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![BU of 7h52 by Molmil](/molmil-images/mine/7h52) | 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 Z1203730981 (A71EV2A-x1209) | Descriptor: | 2-bromo-1H-imidazole, 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 (1.21 Å) | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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7GQU
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![BU of 7gqu by Molmil](/molmil-images/mine/7gqu) | Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ... | Authors: | Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G. | Deposit date: | 2023-10-19 | Release date: | 2024-05-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase. Nature, 629, 2024
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7NPS
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![BU of 7nps by Molmil](/molmil-images/mine/7nps) | Structure of the periplasmic assembly from the ESX-5 inner membrane complex, C1 model | Descriptor: | ESX-5 secretion system ATPase EccB5, Mycosin-5 | Authors: | Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C. | Deposit date: | 2021-02-28 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.81 Å) | Cite: | Structure and dynamics of a mycobacterial type VII secretion system. Nature, 593, 2021
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7NHQ
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![BU of 7nhq by Molmil](/molmil-images/mine/7nhq) | Structure of PSII-I prime (PSII with Psb28, and Psb34) | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | Authors: | Zabret, J, Bohn, S, Schuller, S.K, Arnolds, O, Chan, A, Tajkhorshid, E, Stoll, R, Engel, B.D, Rudack, T, Schuller, J.M, Nowaczyk, M.M. | Deposit date: | 2021-02-11 | Release date: | 2021-05-05 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structural insights into photosystem II assembly. Nat.Plants, 7, 2021
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2IZZ
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![BU of 2izz by Molmil](/molmil-images/mine/2izz) | Crystal structure of human pyrroline-5-carboxylate reductase | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRROLINE-5-CARBOXYLATE REDUCTASE 1 | Authors: | Pike, A.C.W, Guo, K, Kavanagh, K, Pilka, E.S, Berridge, G, Colebrook, S, Bray, J, Salah, E, Savitsky, P, Papagrigoriou, E, Turnbull, A.P, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U. | Deposit date: | 2006-07-31 | Release date: | 2006-08-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of Human Pyrroline-5-Carboxylate Reductase To be Published
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4CTO
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![BU of 4cto by Molmil](/molmil-images/mine/4cto) | Glucopyranosylidene-spiro-iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetic and Crystallographic Methods | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzamide, ... | Authors: | Alexacou, K.M, Papakonstantinou, M, Leonidas, D.D, Zographos, S.E, Chrysina, E.D. | Deposit date: | 2014-03-15 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Glucopyranosylidene-Spiro-Iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation for Inhibition of Glycogen Phosphorylase by Enzyme Kinetic and Crystallographic Methods. Bioorg.Med.Chem., 22, 2014
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7NPU
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![BU of 7npu by Molmil](/molmil-images/mine/7npu) | MycP5-free ESX-5 inner membrane complex, state I | Descriptor: | ESX-5 secretion system ATPase EccB5, ESX-5 secretion system protein EccC5, ESX-5 secretion system protein EccD5 | Authors: | Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C. | Deposit date: | 2021-02-28 | Release date: | 2021-06-02 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.48 Å) | Cite: | Structure and dynamics of a mycobacterial type VII secretion system. Nature, 593, 2021
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5LZP
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![BU of 5lzp by Molmil](/molmil-images/mine/5lzp) | Binding of the C-terminal GQYL motif of the bacterial proteasome activator Bpa to the 20S proteasome | Descriptor: | Bacterial proteasome activator, Proteasome subunit alpha, Proteasome subunit beta | Authors: | Bolten, M, Delley, C.L, Leibundgut, M, Boehringer, D, Ban, N, Weber-Ban, E. | Deposit date: | 2016-09-30 | Release date: | 2016-11-23 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural Analysis of the Bacterial Proteasome Activator Bpa in Complex with the 20S Proteasome. Structure, 24, 2016
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6EGS
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![BU of 6egs by Molmil](/molmil-images/mine/6egs) | Crystal structure of the GalNAc-T2 F104S mutant in complex with UDP-GalNAc | Descriptor: | MANGANESE (II) ION, Polypeptide N-acetylgalactosaminyltransferase 2, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE | Authors: | de las Rivas, M, Coelho, H, Diniz, A, Lira-Navarrete, E, Jimenez-Barbero, J, Schjoldager, K.T, Bennett, E.P, Vakhrushev, S.Y, Clausen, H, Corzana, F, Marcelo, F, Hurtado-Guerrero, R. | Deposit date: | 2017-09-12 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Analysis of a GalNAc-T2 Mutant Reveals an Induced-Fit Catalytic Mechanism for GalNAc-Ts. Chemistry, 24, 2018
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