7H1G
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![BU of 7h1g by Molmil](/molmil-images/mine/7h1g) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0012329-001 | Descriptor: | 7-[(1S)-2-methyl-1-{[(6M)-6-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H18
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![BU of 7h18 by Molmil](/molmil-images/mine/7h18) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013390-001 | Descriptor: | 7-[(1R)-1-({6-[2-(3-hydroxyazetidin-1-yl)pyrimidin-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.166 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H15
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![BU of 7h15 by Molmil](/molmil-images/mine/7h15) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013387-001 | Descriptor: | 7-[(1R)-1-{[(6M)-6-{2-[2-(dimethylamino)ethoxy]pyridin-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H1D
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![BU of 7h1d by Molmil](/molmil-images/mine/7h1d) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011198-001 | Descriptor: | 4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-[(3R)-1-methylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H1F
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![BU of 7h1f by Molmil](/molmil-images/mine/7h1f) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0015381-001 | Descriptor: | N-[(1R)-1-(4-methoxyphenyl)-2-(1H-tetrazol-5-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H19
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![BU of 7h19 by Molmil](/molmil-images/mine/7h19) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013827-001 | Descriptor: | 4-{[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H1E
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![BU of 7h1e by Molmil](/molmil-images/mine/7h1e) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008674-001 | Descriptor: | 7-{(1S)-2-methyl-1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl}-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7GZA
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![BU of 7gza by Molmil](/molmil-images/mine/7gza) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000479-001 | Descriptor: | (3R)-3-(propan-2-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one, Non-structural protein 3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H1A
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![BU of 7h1a by Molmil](/molmil-images/mine/7h1a) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013833-001 | Descriptor: | 2-[(4P)-4-(4-{[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]-N,N-dimethylacetamide, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7GZL
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![BU of 7gzl by Molmil](/molmil-images/mine/7gzl) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008304-001 | Descriptor: | (3R)-3-[4-(cyclopropylcarbamamido)benzamido]-3-[3-(difluoromethyl)phenyl]propanoic acid, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7GZ6
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![BU of 7gz6 by Molmil](/molmil-images/mine/7gz6) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000243-001 | Descriptor: | (3R)-3-methoxy-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyrrolidine-3-carboxylic acid, Non-structural protein 3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7GZK
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![BU of 7gzk by Molmil](/molmil-images/mine/7gzk) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000877-001 | Descriptor: | N-{(1R)-1-[(3R)-oxolan-3-yl]ethyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.163 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H04
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![BU of 7h04 by Molmil](/molmil-images/mine/7h04) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000453-001 | Descriptor: | (2R)-3-methyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Papain-like protease nsp3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7GZ4
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![BU of 7gz4 by Molmil](/molmil-images/mine/7gz4) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000018-001 | Descriptor: | 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide, Non-structural protein 3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.119 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H6K
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![BU of 7h6k by Molmil](/molmil-images/mine/7h6k) | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 (CHIKV_MacB-x0281) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, CHLORIDE ION, ... | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7GZH
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![BU of 7gzh by Molmil](/molmil-images/mine/7gzh) | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000670-001 | Descriptor: | (3R)-3-(4-bromophenyl)-3-[(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)amino]propanoic acid, Non-structural protein 3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7H6U
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![BU of 7h6u by Molmil](/molmil-images/mine/7h6u) | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1216833237 (CHIKV_MacB-x0353) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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8TLN
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![BU of 8tln by Molmil](/molmil-images/mine/8tln) | |
4QLE
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![BU of 4qle by Molmil](/molmil-images/mine/4qle) | |
4QLF
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![BU of 4qlf by Molmil](/molmil-images/mine/4qlf) | |
4QLG
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![BU of 4qlg by Molmil](/molmil-images/mine/4qlg) | |
7AEQ
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![BU of 7aeq by Molmil](/molmil-images/mine/7aeq) | Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-4-(2-hydroxyethylsulfanyl)-N-methyl-benzenesulfonamide | Descriptor: | 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SODIUM ION, ... | Authors: | Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2020-09-18 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases. Eur.Biophys.J., 50, 2021
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7AES
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![BU of 7aes by Molmil](/molmil-images/mine/7aes) | Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-N-methyl-4-propylsulfanyl-benzenesulfonamide | Descriptor: | 2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ... | Authors: | Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2020-09-18 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases. Eur.Biophys.J., 50, 2021
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7AGN
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![BU of 7agn by Molmil](/molmil-images/mine/7agn) | Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)-2,3,5,6-tetrafluoro-N-methyl-benzenesulfonamide | Descriptor: | 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide, BICINE, SODIUM ION, ... | Authors: | Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2020-09-23 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases. Eur.Biophys.J., 50, 2021
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3ENI
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![BU of 3eni by Molmil](/molmil-images/mine/3eni) | Crystal structure of the Fenna-Matthews-Olson Protein from Chlorobaculum Tepidum | Descriptor: | BACTERIOCHLOROPHYLL A, Bacteriochlorophyll a protein | Authors: | Tronrud, D, Camara-Artigas, A, Blankenship, R, Allen, J.P. | Deposit date: | 2008-09-25 | Release date: | 2009-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structural basis for the difference in absorbance spectra for the FMO antenna protein from various green sulfur bacteria. Photosynth.Res., 100, 2009
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